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 |
