3FZW
Crystal Structure of Ketosteroid Isomerase D40N-D103N from Pseudomonas putida (pKSI) with bound equilenin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-1 |
Synchrotron site | SSRL |
Beamline | BL9-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-02-24 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.979462 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 86.876, 71.196, 50.452 |
Unit cell angles | 90.00, 89.92, 90.00 |
Refinement procedure
Resolution | 55.050 - 1.320 |
R-factor | 0.151 |
Rwork | 0.149 |
R-free | 0.18300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2inx |
RMSD bond length | 0.023 |
RMSD bond angle | 2.126 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.370 |
High resolution limit [Å] | 1.320 | 1.320 |
Rmerge | 0.088 | 0.373 |
Number of reflections | 68149 | |
<I/σ(I)> | 10.337 | |
Completeness [%] | 94.0 | 70.2 |
Redundancy | 2.9 | 2.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | Ammonium sulphate 1.4 M, 2-propanol 6.5%, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |