5D81
Crystal Structure of Ketosteroid Isomerase from Pseudomonas putida (pKSI); 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 | 2014-01-22 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97945 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 35.650, 94.831, 72.950 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.415 - 1.390 |
| R-factor | 0.1893 |
| Rwork | 0.188 |
| R-free | 0.22190 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.057 |
| Data scaling software | SCALA (3.3.21) |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 47.415 | 47.415 | 1.470 |
| High resolution limit [Å] | 1.390 | 4.400 | 1.390 |
| Rmerge | 0.025 | 0.206 | |
| Rmeas | 0.041 | ||
| Rpim | 0.019 | 0.013 | 0.108 |
| Total number of observations | 105804 | 3572 | 15679 |
| Number of reflections | 25007 | ||
| <I/σ(I)> | 18.4 | 37.8 | 5.7 |
| Completeness [%] | 98.8 | 97.2 | 99.5 |
| Redundancy | 4.2 | 4.1 | 4.3 |
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 |
