8TZU
OC43 S1b domain in complex with WNb 293 and WNb 317
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2023-03-18 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 98.914, 150.610, 155.111 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.460 - 2.900 |
R-factor | 0.229 |
Rwork | 0.227 |
R-free | 0.26590 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.539 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.460 | 3.060 |
High resolution limit [Å] | 2.900 | 2.900 |
Number of reflections | 52029 | 7476 |
<I/σ(I)> | 11.9 | 1.4 |
Completeness [%] | 100.0 | |
Redundancy | 6.9 | |
CC(1/2) | 0.995 | 0.601 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 23% PEG 1500, 0.1 M MMT pH 4.0 |