3OKM
Crystal structure of unliganded S25-39
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-002 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2010-06-08 |
| Detector | RIGAKU RAXIS |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 41.015, 83.188, 69.500 |
| Unit cell angles | 90.00, 97.60, 90.00 |
Refinement procedure
| Resolution | 19.766 - 2.400 |
| R-factor | 0.2324 |
| Rwork | 0.229 |
| R-free | 0.30620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.819 |
| Data scaling software | d*TREK (9.7 W8RSSI) |
| Phasing software | PHASER (2.1.4) |
| Refinement software | PHENIX (1.7_650) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 19.910 | 19.910 | 2.490 |
| High resolution limit [Å] | 2.400 | 5.140 | 2.400 |
| Rmerge | 0.097 | 0.067 | 0.215 |
| Number of reflections | 16790 | ||
| <I/σ(I)> | 7.4 | 16.8 | 3.1 |
| Completeness [%] | 92.6 | 97.7 | 86.4 |
| Redundancy | 2.95 | 2.93 | 2.98 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | hanging drop | 6.5 | 289 | PEG 3350, MPD, ZnAc, NaCacod, pH 6.5, hanging drop, temperature 289K |
