2OGA
X-ray crystal structure of S. venezuelae DesV in complex with ketimine intermediate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-02-06 |
Detector | BRUKER PROTEUM |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 59.730, 143.390, 92.560 |
Unit cell angles | 90.00, 108.49, 90.00 |
Refinement procedure
Resolution | 36.000 - 2.050 |
R-factor | 0.169 |
Rwork | 0.165 |
R-free | 0.24700 |
Structure solution method | MOLECULAR REPLACEMENT |
Data reduction software | SAINT |
Data scaling software | SADABS |
Phasing software | PHASER |
Refinement software | TNT |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 36.000 | 2.150 |
High resolution limit [Å] | 2.050 | 2.050 |
Number of reflections | 80130 | |
<I/σ(I)> | 14.3 | 3 |
Completeness [%] | 84.6 | 71.4 |
Redundancy | 4.5 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | batch | 6 | 298 | 12% PEG 3400, 1% ethylene glycol, 50 mM MES, 75 mM NaCl, pH 6.0, batch, temperature 298K |