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 |