2VVS
BtGH84 structure in complex with PUGNAc
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 | C 1 2 1 |
| Unit cell lengths | 185.640, 51.340, 81.460 |
| Unit cell angles | 90.00, 96.97, 90.00 |
Refinement procedure
| Resolution | 64.820 - 2.240 |
| R-factor | 0.205 |
| Rwork | 0.203 |
| R-free | 0.24300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2cho |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.557 |
| 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] | 64.820 | 2.360 |
| High resolution limit [Å] | 2.240 | 2.240 |
| Rmerge | 0.080 | 0.580 |
| Number of reflections | 36980 | |
| <I/σ(I)> | 14 | 2 |
| Completeness [%] | 99.8 | 99.3 |
| Redundancy | 4 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.3M NH4AC, 20% GLYCEROL, 0.1M MES PH 6.0, 15% PEG3350 |
