3T8N
Crystal structure of ketosteroid isomerase Y16AD103A from Pseudomonas putida
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-1 |
| Synchrotron site | SSRL |
| Beamline | BL9-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-03-11 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.980 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 127.514, 76.644, 53.060 |
| Unit cell angles | 90.00, 63.96, 90.00 |
Refinement procedure
| Resolution | 38.320 - 1.470 |
| R-factor | 0.1876 |
| Rwork | 0.186 |
| R-free | 0.21810 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3rgr |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.521 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.16) |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 38.322 | 38.322 | 1.540 |
| High resolution limit [Å] | 1.465 | 4.630 | 1.460 |
| Rmerge | 0.014 | 0.872 | |
| Total number of observations | 8919 | 32348 | |
| Number of reflections | 77168 | ||
| <I/σ(I)> | 18 | 43.8 | 0.9 |
| Completeness [%] | 98.0 | 96.5 | 88.4 |
| Redundancy | 3.6 | 3.6 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.2 | 298 | 1.6 M ammonium sulfate, 40 mM potassium phosphate, 1 mM EDTA, 2 mM DTT, pH 7.2, vapor diffusion, sitting drop, temperature 298K |
