5KP3
Crystal Structure of Ketosteroid Isomerase from Pseudomonas putida (pKSI) bound to Equilenin; D40N, Y57(Cl-Y)
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 | 2014-05-08 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97945 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 35.180, 73.160, 94.810 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.405 - 1.700 |
| R-factor | 0.2265 |
| Rwork | 0.225 |
| R-free | 0.25390 |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.600 |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 57.921 | 47.405 | 1.790 |
| High resolution limit [Å] | 1.700 | 5.380 | 1.700 |
| Rmerge | 0.044 | 0.350 | |
| Rmeas | 0.084 | ||
| Rpim | 0.040 | ||
| Total number of observations | 109372 | ||
| Number of reflections | 27157 | ||
| <I/σ(I)> | 9.8 | 8.2 | 2.2 |
| Completeness [%] | 98.1 | 95.1 | 97.5 |
| Redundancy | 4 | 3.8 | 3.9 |
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 |
