3MSU
Crystal Structure of Citrate Synthase from Francisella tularensis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-02-25 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97951 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 75.401, 76.377, 154.138 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.631 - 1.843 |
R-factor | 0.162 |
Rwork | 0.160 |
R-free | 0.20000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | pdbid 1k3p |
RMSD bond length | 0.011 |
RMSD bond angle | 1.221 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | BALBES |
Refinement software | PHENIX ((phenix.refine: 1.6_289)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.870 |
High resolution limit [Å] | 1.840 | 1.840 |
Number of reflections | 77354 | |
<I/σ(I)> | 12.7 | 5.2 |
Completeness [%] | 99.8 | 98.3 |
Redundancy | 8.7 | 7.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 289 | 0.1M Tris pH 8.5, 2.4M diammonium phosphate, VAPOR DIFFUSION, SITTING DROP, temperature 289K |