THREE-DIMENSIONAL STRUCTURE OF A HUMAN FAB WITH HIGH AFFINITY FOR TETANUS TOXOID

entry_id	1aqk
deposition_date	1997-07-30
title	THREE-DIMENSIONAL STRUCTURE OF A HUMAN FAB WITH HIGH AFFINITY FOR TETANUS TOXOID
keywords	HUMAN FAB, ANTI-TETANUS TOXOID, HIGH AFFINITY, CRYSTAL PACKING MOTIF, PROGRAMMING PROPENSITY TO CRYSTALLIZE, IMMUNOGLOBULIN; IMMUNOGLOBULIN
method	X-RAY DIFFRACTION

rg_guinier	26.51 Å
rg_electron	25.53 Å
i0	37432600.00
molecular_weight	46957.0 kDa
excluded_volume	58548 ų
envelope_volume	73536 ų
shell_volume	24326 ų
envelope_diameter	86.7 Å
shell_rg	32.59 Å
envelope_rg	25.17 Å
shape_rg	25.50 Å
total_rg	26.41 Å
total_atoms	3308
n_residues	440
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	82.8 Å
rg_real	26.52 Å
rg_real_error	0.54 Å
i0_real	3.7430e+07
i0_real_error	5.2530e+05
rg_reciprocal	26.52 Å
i0_reciprocal	37430000.0000
total_estimate	0.9098
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	27.6 Å
skewness	0.277
kurtosis	-0.585
angular_range	— – 0.3000 Å−1
current_alpha	0.0000
highest_alpha	5514000.0000
n_real_points	61
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.965; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.972; Smooth: 0.959

Unit Cell

length_a	40.700 Å
length_b	78.600 Å
length_c	74.600 Å
angle_alpha	90.00 °
angle_beta	104.30 °
angle_gamma	90.00 °
z_pdb	2

Symmetry

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

Refinement

resolution	1.840 Å
resolution_low	20.000 Å
r_factor	—
r_work	0.1850
r_free	—

Diffraction

temperature

286.0 K

Files (7)

• pr_distribution /app/data/pr_computation/aq/1aqk/pr_distribution.json
• pr_output /app/data/pr_computation/aq/1aqk/1aqk.pr.out
• pr_plot /app/data/visualization/pr_computation/aq/1aqk/1aqk_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/aq/1aqk/1aqk.dat
• saxs_fit /app/data/saxs_computation/aq/1aqk/1aqk.fit
• saxs_log /app/data/saxs_computation/aq/1aqk/1aqk.log
• saxs_plot /app/data/visualization/saxs_computation/aq/1aqk/1aqk_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/aq/1aqk/1aqk.fit
pddf	/app/data/pr_computation/aq/1aqk/1aqk.pr.out
profile	/app/data/saxs_computation/aq/1aqk/1aqk.dat