7RA4
Crystal structure of Neisseria gonorrhoeae serine acetyltransferase (CysE) in complex with serine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-03-01 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.9537 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 102.857, 94.587, 79.254 |
Unit cell angles | 90.00, 92.18, 90.00 |
Refinement procedure
Resolution | 43.880 - 2.800 |
R-factor | 0.2378 |
Rwork | 0.234 |
R-free | 0.26720 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6wye |
RMSD bond length | 0.002 |
RMSD bond angle | 0.583 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER (1.18.2_3874) |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.880 | 2.950 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.149 | 0.915 |
Rpim | 0.061 | 0.367 |
Number of reflections | 18772 | 2723 |
<I/σ(I)> | 9.1 | 2.2 |
Completeness [%] | 99.9 | 100 |
Redundancy | 6.9 | 7.2 |
CC(1/2) | 0.995 | 0.829 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.4 | 291.15 | 0.1M TRIS pH 8.4, 26% (v/v) PEG 400 |