5D83
Crystal Structure of Ketosteroid Isomerase from Pseudomonas putida (pKSI); D40N, Y32(Cl-Y)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-06-26 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.10 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 34.900, 72.760, 94.950 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 31.467 - 1.700 |
| R-factor | 0.1988 |
| Rwork | 0.196 |
| R-free | 0.24840 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.004 |
| 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] | 57.753 | 31.650 | 1.790 |
| High resolution limit [Å] | 1.700 | 5.380 | 1.700 |
| Rmerge | 0.030 | 0.467 | |
| Rmeas | 0.062 | ||
| Rpim | 0.024 | 0.013 | 0.190 |
| Total number of observations | 185846 | 5934 | 27339 |
| Number of reflections | 27352 | ||
| <I/σ(I)> | 17.6 | 38.1 | 4.2 |
| Completeness [%] | 99.7 | 95.1 | 100 |
| Redundancy | 6.8 | 6.3 | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 298 | 1.1-1.4M ammounium sulfate, 40mM potassium phosphate, 3-6% isopropanol |
