6H5E
Crystal Structure of the GatD/MurT Enzyme Complex from Staphylococcus aureus with bound AMPPNP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-02-22 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 109.720, 109.740, 123.300 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.075 - 2.139 |
R-factor | 0.1927 |
Rwork | 0.192 |
R-free | 0.23540 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6gs2 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.424 |
Data reduction software | XDS (Version May1, 2016) |
Data scaling software | XDS (Version May1, 2016) |
Phasing software | PHASER (2.7.17) |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.216 |
High resolution limit [Å] | 2.139 | 2.139 |
Rmeas | 0.116 | 2.369 |
Rpim | 0.031 | 0.661 |
Number of reflections | 82581 | 8030 |
<I/σ(I)> | 19.37 | 1.23 |
Completeness [%] | 99.8 | 97.95 |
Redundancy | 13.5 | 12.6 |
CC(1/2) | 1.000 | 0.847 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9.1 | 277 | 100 mM Tris pH 9.1 350 mM MgCl2 18 % PEG 8000 13 % Glycerol |