2W4X
BtGH84 in complex with STZ
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-12-07 |
Detector | ADSC CCD |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 186.990, 52.344, 84.267 |
Unit cell angles | 90.00, 99.30, 90.00 |
Refinement procedure
Resolution | 83.050 - 2.420 |
R-factor | 0.185 |
Rwork | 0.182 |
R-free | 0.23500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2cho |
RMSD bond length | 0.017 |
RMSD bond angle | 1.674 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.4.0077) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 92.450 | 2.550 |
High resolution limit [Å] | 2.420 | 2.420 |
Rmerge | 0.080 | 0.510 |
Number of reflections | 31098 | |
<I/σ(I)> | 13.1 | 2.6 |
Completeness [%] | 99.9 | 99.5 |
Redundancy | 4 | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 0.3M NH4AC, 0.1M MES PH 6.0, 13% PEG3350, 20% GLYCEROL |