5DRE
Crystal Structure of Ketosteroid Isomerase D38GP39GD99N mutant from Pseudomonas Testosteroni (tKSI)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-01-17 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.979 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 60.362, 60.362, 142.103 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 42.107 - 2.151 |
R-factor | 0.2236 |
Rwork | 0.221 |
R-free | 0.26760 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3nxj |
RMSD bond length | 0.007 |
RMSD bond angle | 0.960 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.110 | 2.230 |
High resolution limit [Å] | 2.150 | 2.150 |
Rmerge | 0.085 | 0.542 |
Number of reflections | 8865 | |
<I/σ(I)> | 12.89 | 2.01 |
Completeness [%] | 99.3 | 98.5 |
Redundancy | 5.4 | 4.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 298 | Potassium Phosphate 40 mM, Ammonium Sulfate 0.6 M |