4TV6
Crystal Structure of Citrate Synthase Variant SbnG E151Q
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-03-29 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.54180 |
Spacegroup name | P 3 1 2 |
Unit cell lengths | 77.240, 77.240, 75.810 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 27.052 - 2.600 |
R-factor | 0.2342 |
Rwork | 0.232 |
R-free | 0.28190 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.748 |
Data scaling software | SCALA (3.3.20) |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 27.050 | 27.050 | 2.740 |
High resolution limit [Å] | 2.600 | 8.220 | 2.600 |
Rmerge | 0.089 | 0.040 | 0.246 |
Rmeas | 0.097 | ||
Rpim | 0.037 | 0.023 | 0.017 |
Total number of observations | 34715 | 1118 | 4906 |
Number of reflections | 7119 | ||
<I/σ(I)> | 11.5 | 20.1 | 5.1 |
Completeness [%] | 87.5 | 79.7 | 87.3 |
Redundancy | 4.9 | 4.9 | 4.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 5% (v/v) tascimate, 0.1 M HEPES, 10% PEG MME 5000, 40 mM gaunidine hydrochloride, 5 mM oxaloacetate, 5 mM coeznyme A |