3OKE
Crystal structure of S25-39 in complex with Ko
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-002 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2010-06-16 |
Detector | RIGAKU RAXIS |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 44.959, 81.245, 127.710 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.356 - 2.400 |
R-factor | 0.2246 |
Rwork | 0.221 |
R-free | 0.28950 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.182 |
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] | 19.880 | 19.880 | 2.490 |
High resolution limit [Å] | 2.400 | 5.140 | 2.400 |
Rmerge | 0.083 | 0.044 | 0.330 |
Number of reflections | 18047 | ||
<I/σ(I)> | 8 | 17.1 | 3.3 |
Completeness [%] | 95.2 | 92.9 | 99.2 |
Redundancy | 3.85 | 3.17 | 4.2 |
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 |