B1-8 FV FRAGMENT COMPLEXED WITH A (4-HYDROXY-5-IODO-3-NITROPHENYL) ACETATE COMPOUND

entry_id	1a6w
deposition_date	1998-03-03
title	B1-8 FV FRAGMENT COMPLEXED WITH A (4-HYDROXY-5-IODO-3-NITROPHENYL) ACETATE COMPOUND
keywords	IMMUNOGLOBULIN, HAPTEN; IMMUNOGLOBULIN
method	X-RAY DIFFRACTION

rg_guinier	18.20 Å
rg_electron	17.21 Å
i0	11368900.00
molecular_weight	24853.0 kDa
excluded_volume	30883 ų
envelope_volume	34770 ų
shell_volume	17036 ų
envelope_diameter	56.2 Å
shell_rg	23.19 Å
envelope_rg	17.45 Å
shape_rg	17.15 Å
total_rg	18.31 Å
total_atoms	1748
n_residues	229
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	56.7 Å
rg_real	18.11 Å
rg_real_error	0.34 Å
i0_real	1.1370e+07
i0_real_error	1.4770e+05
rg_reciprocal	18.13 Å
i0_reciprocal	11370000.0000
total_estimate	0.9030
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	23.0 Å
skewness	0.206
kurtosis	-0.414
angular_range	— – 0.4350 Å−1
current_alpha	0.0000
highest_alpha	3633000.0000
n_real_points	75
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.914; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.995; Smooth: 0.997

Unit Cell

length_a	72.270 Å
length_b	83.510 Å
length_c	40.230 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

Symmetry

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

Refinement

resolution	2.000 Å
resolution_low	6.000 Å
r_factor	—
r_work	0.1710
r_free	—

Diffraction

temperature

269.0 K

Files (7)

• pr_distribution /app/data/pr_computation/a6/1a6w/pr_distribution.json
• pr_output /app/data/pr_computation/a6/1a6w/1a6w.pr.out
• pr_plot /app/data/visualization/pr_computation/a6/1a6w/1a6w_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/a6/1a6w/1a6w.dat
• saxs_fit /app/data/saxs_computation/a6/1a6w/1a6w.fit
• saxs_log /app/data/saxs_computation/a6/1a6w/1a6w.log
• saxs_plot /app/data/visualization/saxs_computation/a6/1a6w/1a6w_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/a6/1a6w/1a6w.fit
pddf	/app/data/pr_computation/a6/1a6w/1a6w.pr.out
profile	/app/data/saxs_computation/a6/1a6w/1a6w.dat