2VVN
BtGH84 in complex with NH-Butylthiazoline
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 | 2008-03-08 |
Detector | ADSC CCD |
Spacegroup name | P 1 |
Unit cell lengths | 51.511, 94.503, 99.227 |
Unit cell angles | 104.53, 94.00, 102.89 |
Refinement procedure
Resolution | 57.450 - 1.850 |
R-factor | 0.18252 |
Rwork | 0.180 |
R-free | 0.22424 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2chn |
RMSD bond length | 0.014 |
RMSD bond angle | 1.465 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.4.0065) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 76.030 | 1.950 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.070 | 0.510 |
Number of reflections | 142794 | |
<I/σ(I)> | 10.5 | 2 |
Completeness [%] | 95.5 | 94.7 |
Redundancy | 2.1 | 2.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 0.3M NH4AC, 20% GLYCEROL, 13% PEG3350, 0.1M MES PH 6.0 |