← Back to search

9s0g

Intermediate-state of CBD of TtCarH after illumination at 180 K (MX, ESRF)

Method: X-RAY DIFFRACTION D_max: 91.2 Å Quality: GOOD

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	9s0g
deposition_date	2025-07-16
title	Intermediate-state of CBD of TtCarH after illumination at 180 K (MX, ESRF)
keywords	;SFX, Room temperature, serial crystallography, CarH, photoreceptor, vitamin B12, cobalamin, coenzyme B12, time-resolved crystallography, DNA BINDING PROTEIN ;; DNA BINDING PROTEIN
method	X-RAY DIFFRACTION

▼

Download Data

SAXS curve (.dat) P(r) distribution (.pr.out) Structure (CIF)

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	28.95 Å
rg_electron	27.92 Å
i0	120767000.00
molecular_weight	88750.0 kDa
excluded_volume	111910 Å³
envelope_volume	129060 Å³
shell_volume	37991 Å³
envelope_diameter	97.2 Å
shell_rg	35.73 Å
envelope_rg	27.90 Å
shape_rg	27.95 Å
total_rg	28.54 Å
total_atoms	6255
n_residues	788
n_harmonics	20
q_range	— – 0.5000 Å⁻¹
n_points	101
shell_type	directional
solvent_density	0.3340 e/Å³
contrast_shell	0.0300 e/Å³
crysol_version	4.1.3

▼

3. P(r) Analysis (GNOM)

dmax	91.2 Å
rg_real	28.90 Å
rg_real_error	0.50 Å
i0_real	1.2080e+08
i0_real_error	1.6880e+06
rg_reciprocal	28.92 Å
i0_reciprocal	120800000.0000
total_estimate	0.8991
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	33.1 Å
skewness	0.311
kurtosis	-0.418
angular_range	— – 0.2750 Å⁻¹
current_alpha	0.0000
highest_alpha	53020000.0000
n_real_points	56
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.916; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.935

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (7)

Entity 1 polymer

description	Probable transcriptional regulator
formula_weight	23259.8 kDa
src_method	man
entity_count	4

Polymer

type	polypeptide(L)
strand_id	A,B,C,D
atom_count	6690

VRPEDLGTGLLEALLRGDLAGAEALFRRGLRFWGPEGVLEHLLLPVLREVGEAWHRGEIGVAEEHLASTFLRARLQELLDLAGFPPGPPVLVTTPPGERHEIGAMLAAYHLRRKGVPALYLGPDTPLPDLRALARRLGAGAVVLSAVLSEPLRALPDGALKDLAPRVFLGGQGAGPEEARRLGAEYMEDLKGLAEALWLPRGPEKEAIGHHHHHH

Source

organism	Thermus thermophilus
ncbi_taxonomy_id	274
host_organism	Escherichia coli

Entity 2 non-polymer

description	5'-DEOXYADENOSINE
formula_weight	251.2 kDa
src_method	syn
entity_count	4

Entity 3 non-polymer

description	COBALAMIN
formula_weight	1330.4 kDa
src_method	syn
entity_count	4

Entity 4 non-polymer

description	BROMIDE ION
formula_weight	79.9 kDa
src_method	syn
entity_count	3

Entity 5 non-polymer

description	CHLORIDE ION
formula_weight	35.5 kDa
src_method	syn
entity_count	3

Entity 6 non-polymer

description	GLYCINE
formula_weight	75.1 kDa
src_method	syn
entity_count	1

Entity 7 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	350

▶

6. Citations (1)

▶

length_a	63.990 Å
length_b	70.130 Å
length_c	206.270 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	16

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	1.900 Å
resolution_low	41.550 Å
r_factor	0.2066
r_work	0.2049
r_free	0.2388

fit	/app/data/saxs_computation/s0/9s0g/9s0g.fit
pddf	/app/data/pr_computation/s0/9s0g/9s0g.pr.out
profile	/app/data/saxs_computation/s0/9s0g/9s0g.dat