6ZU0
Crystal structure of citrate synthase (GltA) from Pseudomonas aeruginosa
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-11-26 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.9762 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 216.746, 80.177, 196.659 |
Unit cell angles | 90.00, 121.89, 90.00 |
Refinement procedure
Resolution | 83.489 - 3.397 |
R-factor | 0.239 |
Rwork | 0.238 |
R-free | 0.26660 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4e6y |
RMSD bond length | 0.007 |
RMSD bond angle | 1.307 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 83.489 | 83.460 | 3.490 |
High resolution limit [Å] | 3.390 | 15.210 | 3.400 |
Rmerge | 0.193 | 0.073 | 1.021 |
Rmeas | 0.219 | 0.086 | 1.157 |
Rpim | 0.102 | 0.043 | 0.536 |
Number of reflections | 39887 | 490 | 2941 |
<I/σ(I)> | 4.7 | 12.9 | 1.3 |
Completeness [%] | 100.0 | 99.4 | 99.9 |
Redundancy | 4.4 | 3.8 | 4.5 |
CC(1/2) | 0.988 | 0.986 | 0.566 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 292 | 0.1 M HEPES pH 7.5, 2% PEG400, 2 M ammonium sulphate |