4RV3
Crystal structure of a pentafluoro-Phe incorporated Phosphatidylinositol-specific phospholipase C (H258X)from Staphylococcus aureus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 120 |
Detector technology | IMAGE PLATE |
Collection date | 2014-01-28 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.54 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 59.850, 59.850, 180.410 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.870 - 2.000 |
R-factor | 0.1825 |
Rwork | 0.180 |
R-free | 0.23840 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.020 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.870 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.199 | |
Number of reflections | 22311 | |
<I/σ(I)> | 3.9 | |
Completeness [%] | 96.6 | 74.6 |
Redundancy | 4.31 | 2.13 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 277 | 26% PEG 4000,0.150M ammonium acetate,0.1M sodium acetate, 0.1M magnesium nitrate, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K |