3IPT
Crystal Structure of Ketosteroid Isomerase Y16S/D40N from Pseudomonas putida with Bound Equilenin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.2 |
Synchrotron site | ALS |
Beamline | 8.2.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-11-19 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 50.694, 72.401, 81.328 |
Unit cell angles | 90.00, 91.16, 90.00 |
Refinement procedure
Resolution | 43.408 - 1.632 |
R-factor | 0.2089 |
Rwork | 0.207 |
R-free | 0.24510 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB 2PZV |
RMSD bond length | 0.031 |
RMSD bond angle | 2.696 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.410 | |
High resolution limit [Å] | 1.630 | 1.630 |
Rmerge | 0.166 | 0.166 |
Number of reflections | 60155 | |
<I/σ(I)> | 9.7 | 9.7 |
Completeness [%] | 82.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 293 | 0.9 M ammonium sulfate, 40 mM potassium phosphate, pH 7.2, hanging drop, temperature 293K, VAPOR DIFFUSION, HANGING DROP |