3MYT
Crystal structure of Ketosteroid Isomerase D38HD99N from Pseudomonas testosteroni (tKSI)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-03-25 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 0.97946 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 64.274, 64.274, 504.199 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.340 - 1.961 |
| R-factor | 0.2262 |
| Rwork | 0.223 |
| R-free | 0.28184 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 8cho |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.049 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.15) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 29.348 | 29.350 | 2.070 |
| High resolution limit [Å] | 1.961 | 6.200 | 1.961 |
| Rmerge | 0.041 | 0.802 | |
| Rmeas | 0.040 | 0.870 | |
| Rpim | 0.010 | 0.310 | |
| Total number of observations | 30762 | 40565 | |
| Number of reflections | 45766 | ||
| <I/σ(I)> | 14 | 45.8 | 1.9 |
| Completeness [%] | 98.6 | 99.1 | 91.1 |
| Redundancy | 11.7 | 17.3 | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | sitting drop | 7.2 | 298 | 1.2 M ammonium sulfate, 40 mM potassium phosphate, 1 mM EDTA, 2mM DTT, 1.8mM equilenin, pH 7.2, sitting drop, temperature 298K |
| 1 | sitting drop | 7.2 | 298 | 1.2 M ammonium sulfate, 40 mM potassium phosphate, 1 mM EDTA, 2mM DTT, 1.8mM equilenin, pH 7.2, sitting drop, temperature 298K |
