Work experience structure of Bovine Hemoglobin, collected at room temperature.

entry_id	9rxg
deposition_date	2025-07-11
last_revision	2025-08-27
title	Work experience structure of Bovine Hemoglobin, collected at room temperature.
keywords	Room temperature, multi-crystal, OXYGEN TRANSPORT; OXYGEN TRANSPORT
method	X-RAY DIFFRACTION

rg_guinier	24.69 Å
rg_electron	23.41 Å
i0	61023000.00
molecular_weight	63410.0 kDa
excluded_volume	80288 ų
envelope_volume	94324 ų
shell_volume	32406 ų
envelope_diameter	72.8 Å
shell_rg	31.21 Å
envelope_rg	23.14 Å
shape_rg	23.39 Å
total_rg	24.35 Å
total_atoms	4485
n_residues	565
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	70.4 Å
rg_real	24.45 Å
rg_real_error	0.24 Å
i0_real	6.1020e+07
i0_real_error	7.0690e+05
rg_reciprocal	24.50 Å
i0_reciprocal	61030000.0000
total_estimate	0.9131
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	1
r_peak_primary	69.3 Å
skewness	0.027
kurtosis	-0.554
angular_range	— – 0.3200 Å−1
current_alpha	0.0000
highest_alpha	13860000.0000
n_real_points	64
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.970; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.971; Smooth: 0.984

Unit Cell

length_a	64.774 Å
length_b	79.118 Å
length_c	109.856 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

Symmetry

space_group	P 21 21 21
int_tables_number	19
crystal_system	orthorhombic

Refinement

resolution	2.620 Å
resolution_low	64.200 Å
r_factor	0.1941
r_work	0.1900
r_free	0.2330

Diffraction

temperature

293.0 K

Files (7)

• pr_distribution /app/data/pr_computation/rx/9rxg/pr_distribution.json
• pr_output /app/data/pr_computation/rx/9rxg/9rxg.pr.out
• pr_plot /app/data/visualization/pr_computation/rx/9rxg/9rxg_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/rx/9rxg/9rxg.dat
• saxs_fit /app/data/saxs_computation/rx/9rxg/9rxg.fit
• saxs_log /app/data/saxs_computation/rx/9rxg/9rxg.log
• saxs_plot /app/data/visualization/saxs_computation/rx/9rxg/9rxg_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/rx/9rxg/9rxg.fit
pddf	/app/data/pr_computation/rx/9rxg/9rxg.pr.out
profile	/app/data/saxs_computation/rx/9rxg/9rxg.dat