5KP4
Crystal Structure of Ketosteroid Isomerase from Pseudomonas putida (pKSI) bound to 19-nortestosterone
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-03-30 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97946 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 33.851, 72.587, 94.820 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.294 - 1.706 |
R-factor | 0.205 |
Rwork | 0.203 |
R-free | 0.23900 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.851 |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 36.294 |
High resolution limit [Å] | 1.706 |
Rmerge | 0.092 |
Number of reflections | 26203 |
<I/σ(I)> | 9.6 |
Completeness [%] | 99.8 |
Redundancy | 6.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 298 | 1.1-1.4M ammonium sulfate, 40mM potassium phosphate, 3-6% isopropanol |