6UAE
Ketosteroid isomerase (C. testosteroni) with truncated & designed loop for precise positioning of a catalytic E38
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-03-28 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.1158 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 73.012, 209.997, 39.639 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 105.000 - 1.930 |
| R-factor | 0.177 |
| Rwork | 0.175 |
| R-free | 0.21200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.910 |
| Data reduction software | xia2 |
| Data scaling software | pointless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 105.000 | 1.960 |
| High resolution limit [Å] | 1.930 | 1.930 |
| Rmerge | 0.253 | 3.378 |
| Rpim | 0.059 | 0.818 |
| Number of reflections | 46239 | 2182 |
| <I/σ(I)> | 9.3 | 1 |
| Completeness [%] | 98.1 | 94.2 |
| Redundancy | 19.1 | 17.7 |
| CC(1/2) | 0.995 | 0.652 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.2 | 293 | 1.6M Ammonium Sulfate, 50 mM potassium phosphate pH 7.2 |
