8H2R
Escherichia Coli Heat Labile Enterotoxin Type IIB B-Pentamer Circular Permutant CP52-53
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSRRC BEAMLINE BL13B1 |
Synchrotron site | NSRRC |
Beamline | BL13B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2022-05-26 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 1.0 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 74.385, 69.789, 88.338 |
Unit cell angles | 90.00, 114.49, 90.00 |
Refinement procedure
Resolution | 26.800 - 2.900 |
R-factor | 0.2373 |
Rwork | 0.225 |
R-free | 0.34980 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1qb5 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.231 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.000 |
High resolution limit [Å] | 2.900 | 2.900 |
Rmeas | 0.140 | 0.630 |
Number of reflections | 7547 | 7546 |
<I/σ(I)> | 8.1 | 1.7 |
Completeness [%] | 97.8 | |
Redundancy | 3.3 | |
CC(1/2) | 0.870 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 283 | 0.1 M sodium citrate pH 5, 0.1 M MgCl2, 15% v/v Polyethylene glycol 4000 |