4XGH
X-ray Crystal Structure of Citrate Synthase from Burkholderia thailandensis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-10-20 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97740 |
Spacegroup name | H 3 2 |
Unit cell lengths | 120.250, 120.250, 219.650 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.573 - 2.100 |
R-factor | 0.2092 |
Rwork | 0.208 |
R-free | 0.23010 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3L96 |
RMSD bond length | 0.002 |
RMSD bond angle | 0.584 |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.150 | |
High resolution limit [Å] | 2.100 | 9.390 | 2.100 |
Rmerge | 0.046 | 0.011 | 0.560 |
Rmeas | 0.056 | 0.013 | 0.681 |
Total number of observations | 110577 | ||
Number of reflections | 35644 | 405 | 2618 |
<I/σ(I)> | 18.65 | 71 | 2.44 |
Completeness [%] | 99.2 | 88.6 | 99.9 |
Redundancy | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 289 | JCSG screen H2: 1.0 M ammonium sulfate, 1% PEG3350, 0.1 M BIS-TRIS pH 5.50 |