7XSG
Crystal structure of ClAgl29B
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
Synchrotron site | Photon Factory |
Beamline | AR-NE3A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-03-05 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 73.132, 123.405, 166.605 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.418 - 1.609 |
Rwork | 0.172 |
R-free | 0.18840 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | AlphaFold2 model |
RMSD bond length | 0.007 |
RMSD bond angle | 1.364 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | REFMAC (5.8.0349) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 99.165 | 1.710 |
High resolution limit [Å] | 1.609 | 1.610 |
Rmeas | 0.069 | 0.459 |
Number of reflections | 194275 | 30357 |
<I/σ(I)> | 22.17 | 4.51 |
Completeness [%] | 99.5 | 97 |
Redundancy | 6.7 | 6.6 |
CC(1/2) | 0.999 | 0.942 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 3.5 | 293 | 0.1 M sodium citrate (pH 3.5), 5% PEG 20,000, 5% 2-propanol |