HEMOGLOBIN (VAL BETA1 MET, TRP BETA37 ALA) MUTANT

entry_id	1a01
deposition_date	1997-12-08
title	HEMOGLOBIN (VAL BETA1 MET, TRP BETA37 ALA) MUTANT
keywords	OXYGEN TRANSPORT; OXYGEN TRANSPORT
method	X-RAY DIFFRACTION

rg_guinier	24.85 Å
rg_electron	23.57 Å
i0	63323900.00
molecular_weight	64289.0 kDa
excluded_volume	81276 ų
envelope_volume	96271 ų
shell_volume	32765 ų
envelope_diameter	70.8 Å
shell_rg	31.65 Å
envelope_rg	23.24 Å
shape_rg	23.57 Å
total_rg	24.48 Å
total_atoms	4540
n_residues	574
n_harmonics	20
q_range	— – 0.5000 Å−1
n_points	101
shell_type	directional
solvent_density	0.3340 e/ų
contrast_shell	0.0300 e/ų
crysol_version	4.1.3

dmax	70.1 Å
rg_real	24.59 Å
rg_real_error	0.25 Å
i0_real	6.3320e+07
i0_real_error	8.4540e+05
rg_reciprocal	24.65 Å
i0_reciprocal	63330000.0000
total_estimate	0.7604
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	33.4 Å
skewness	0.001
kurtosis	-0.572
angular_range	— – 0.3200 Å−1
current_alpha	0.0000
highest_alpha	13800000.0000
n_real_points	64
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.973; Stabil: 1.000; Sysdev: 0.338; Positv: 1.000; Valcen: 0.968; Smooth: 0.978

Unit Cell

length_a	63.400 Å
length_b	83.600 Å
length_c	53.800 Å
angle_alpha	90.00 °
angle_beta	99.30 °
angle_gamma	90.00 °
z_pdb	4

Symmetry

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

Refinement

resolution	1.800 Å
resolution_low	8.000 Å
r_factor	—
r_work	0.1690
r_free	0.2230

Diffraction

temperature

295.0 K

Files (7)

• pr_distribution /app/data/pr_computation/a0/1a01/pr_distribution.json
• pr_output /app/data/pr_computation/a0/1a01/1a01.pr.out
• pr_plot /app/data/visualization/pr_computation/a0/1a01/1a01_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/a0/1a01/1a01.dat
• saxs_fit /app/data/saxs_computation/a0/1a01/1a01.fit
• saxs_log /app/data/saxs_computation/a0/1a01/1a01.log
• saxs_plot /app/data/visualization/saxs_computation/a0/1a01/1a01_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/a0/1a01/1a01.fit
pddf	/app/data/pr_computation/a0/1a01/1a01.pr.out
profile	/app/data/saxs_computation/a0/1a01/1a01.dat