8GUN
Crystal structure of mutant H528A of EsaD from Staphylococcus aureus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CAMD BEAMLINE GCPCC |
Synchrotron site | CAMD |
Beamline | GCPCC |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-10-07 |
Detector | DECTRIS PILATUS 300K |
Wavelength(s) | 0.978690 |
Spacegroup name | I 4 2 2 |
Unit cell lengths | 106.548, 106.548, 151.062 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 87.069 - 2.300 |
R-factor | 0.186331060641 |
Rwork | 0.181 |
R-free | 0.23297 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | AlphaFold |
RMSD bond length | 0.003 |
RMSD bond angle | 0.604 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692+SVN) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 95.900 | 2.370 |
High resolution limit [Å] | 2.250 | 2.250 |
Number of reflections | 35443 | 2713 |
<I/σ(I)> | 17.6 | |
Completeness [%] | 96.0 | |
Redundancy | 10.8 | |
CC(1/2) | 0.998 | 0.737 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 289 | 0.2M (CH3COO)2Mg, 20% PEG3350 |