2WZI
BtGH84 D243N in complex with 5F-oxazoline
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-01-30 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 |
| Unit cell lengths | 51.380, 93.820, 98.880 |
| Unit cell angles | 104.14, 94.06, 103.08 |
Refinement procedure
| Resolution | 34.330 - 1.900 |
| R-factor | 0.18608 |
| Rwork | 0.184 |
| R-free | 0.22349 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2cho |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.364 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.330 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.100 | 0.450 |
| Number of reflections | 132087 | |
| <I/σ(I)> | 7.3 | 2.1 |
| Completeness [%] | 96.2 | 94.9 |
| Redundancy | 2.2 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.6M NH4AC, 10% GLYCEROL, 14% PEG3350, 0.1M MES PH6 |
