29G11 COMPLEXED WITH PHENYL [1-(1-N-SUCCINYLAMINO)PENTYL] PHOSPHONATE

entry_id	1a0q
deposition_date	1997-12-05
title	29G11 COMPLEXED WITH PHENYL [1-(1-N-SUCCINYLAMINO)PENTYL] PHOSPHONATE
keywords	CATALYTIC ANTIBODY, ESTERASE; CATALYTIC ANTIBODY
method	X-RAY DIFFRACTION

rg_guinier	24.84 Å
rg_electron	23.78 Å
i0	35713800.00
molecular_weight	45726.0 kDa
excluded_volume	56999 ų
envelope_volume	69817 ų
shell_volume	24751 ų
envelope_diameter	78.6 Å
shell_rg	30.59 Å
envelope_rg	23.51 Å
shape_rg	23.73 Å
total_rg	24.72 Å
total_atoms	3209
n_residues	416
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	77.0 Å
rg_real	24.79 Å
rg_real_error	0.52 Å
i0_real	3.5710e+07
i0_real_error	5.0340e+05
rg_reciprocal	24.81 Å
i0_reciprocal	35710000.0000
total_estimate	0.9122
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	30.6 Å
skewness	0.267
kurtosis	-0.474
angular_range	— – 0.3200 Å−1
current_alpha	0.0000
highest_alpha	8220000.0000
n_real_points	64
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.961; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.992; Smooth: 0.980

Unit Cell

length_a	36.780 Å
length_b	82.610 Å
length_c	132.340 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	2.300 Å
resolution_low	50.000 Å
r_factor	0.2030
r_work	0.2030
r_free	0.2750

Diffraction

temperature

93.0 K

Files (7)

• pr_distribution /app/data/pr_computation/a0/1a0q/pr_distribution.json
• pr_output /app/data/pr_computation/a0/1a0q/1a0q.pr.out
• pr_plot /app/data/visualization/pr_computation/a0/1a0q/1a0q_pr_distribution.png
• saxs_curve_dat /app/data/saxs_computation/a0/1a0q/1a0q.dat
• saxs_fit /app/data/saxs_computation/a0/1a0q/1a0q.fit
• saxs_log /app/data/saxs_computation/a0/1a0q/1a0q.log
• saxs_plot /app/data/visualization/saxs_computation/a0/1a0q/1a0q_saxs_profile.png

Curves (3)

fit	/app/data/saxs_computation/a0/1a0q/1a0q.fit
pddf	/app/data/pr_computation/a0/1a0q/1a0q.pr.out
profile	/app/data/saxs_computation/a0/1a0q/1a0q.dat