7MD0
Crystal structure of Staphylococcus aureus cystathionine gamma lyase holoenzyme in the presence of NL1F3
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 17-ID-2 |
Synchrotron site | NSLS-II |
Beamline | 17-ID-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-05-29 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.91956 |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 104.791, 104.791, 287.866 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.660 - 2.120 |
R-factor | 0.1723 |
Rwork | 0.171 |
R-free | 0.19760 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ixz |
RMSD bond length | 0.007 |
RMSD bond angle | 0.905 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.160 |
High resolution limit [Å] | 2.120 | 2.120 |
Rmerge | 0.247 | 0.777 |
Rpim | 0.061 | 0.230 |
Number of reflections | 45500 | 2197 |
<I/σ(I)> | 7.9 | 0.7 |
Completeness [%] | 99.8 | 97.8 |
Redundancy | 16.6 | 8.7 |
CC(1/2) | 0.967 | 0.871 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.6 | 291 | 0.1 M HEPES sodium, pH 7.6, 1.4 M tri-sodium citrate |