R-STATE HUMAN CARBONMONOXYHEMOGLOBIN ALPHA-A53S

entry_id	1aj9
deposition_date	1997-05-16
title	R-STATE HUMAN CARBONMONOXYHEMOGLOBIN ALPHA-A53S
keywords	OXYGEN TRANSPORT, HEMOGLOBIN, MUTANT, ALPHA-A53S, CARBOXYHEMOGLOBIN, CARBONMONOXIDE, CARBONMONOXYHEMOGLOBIN, CARBONMONOXY; OXYGEN TRANSPORT
method	X-RAY DIFFRACTION

rg_guinier	20.36 Å
rg_electron	19.08 Å
i0	17265100.00
molecular_weight	32395.0 kDa
excluded_volume	40882 ų
envelope_volume	46574 ų
shell_volume	20209 ų
envelope_diameter	60.3 Å
shell_rg	25.52 Å
envelope_rg	19.15 Å
shape_rg	19.07 Å
total_rg	20.02 Å
total_atoms	2288
n_residues	287
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	60.6 Å
rg_real	20.23 Å
rg_real_error	0.37 Å
i0_real	1.7270e+07
i0_real_error	2.2570e+05
rg_reciprocal	20.25 Å
i0_reciprocal	17270000.0000
total_estimate	0.9128
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	1
r_peak_primary	59.7 Å
skewness	0.101
kurtosis	-0.569
angular_range	— – 0.3900 Å−1
current_alpha	0.0000
highest_alpha	3089000.0000
n_real_points	71
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.958; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.990; Smooth: 0.997

Unit Cell

length_a	54.100 Å
length_b	54.100 Å
length_c	195.100 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

Symmetry

space_group	P 41 21 2
int_tables_number	92
crystal_system	—

Refinement

resolution	2.200 Å
resolution_low	6.000 Å
r_factor	—
r_work	0.1550
r_free	—

Diffraction

temperature

273.0 K

Files (7)

• pr_distribution /app/data/pr_computation/aj/1aj9/pr_distribution.json
• pr_output /app/data/pr_computation/aj/1aj9/1aj9.pr.out
• pr_plot /app/data/visualization/pr_computation/aj/1aj9/1aj9_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/aj/1aj9/1aj9.dat
• saxs_fit /app/data/saxs_computation/aj/1aj9/1aj9.fit
• saxs_log /app/data/saxs_computation/aj/1aj9/1aj9.log
• saxs_plot /app/data/visualization/saxs_computation/aj/1aj9/1aj9_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/aj/1aj9/1aj9.fit
pddf	/app/data/pr_computation/aj/1aj9/1aj9.pr.out
profile	/app/data/saxs_computation/aj/1aj9/1aj9.dat