7MDB
Crystal structure of Staphylococcus aureus cystathionine gamma lyase holoenzyme Y103A mutant co-crystallized with NL2
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 | 2020-01-31 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.91956 |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 105.119, 105.119, 287.790 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.690 - 1.800 |
R-factor | 0.1702 |
Rwork | 0.170 |
R-free | 0.18940 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4ixz |
RMSD bond length | 0.007 |
RMSD bond angle | 1.011 |
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 | 1.830 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.104 | 1.409 |
Rpim | 0.037 | 0.539 |
Number of reflections | 74732 | 3667 |
<I/σ(I)> | 38.6 | 1.6 |
Completeness [%] | 100.0 | 99.9 |
Redundancy | 8.9 | 7.3 |
CC(1/2) | 0.989 | 0.748 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 0.1 M sodium cacodylate , pH 6.5, 1.3 M tri-sodium citrate |