2WZH
BtGH84 D242N in complex with MeUMB-derived oxazoline
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-05-20 |
| Detector | ADSC CCD |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 184.760, 52.290, 86.930 |
| Unit cell angles | 90.00, 100.20, 90.00 |
Refinement procedure
| Resolution | 90.920 - 2.200 |
| R-factor | 0.18809 |
| Rwork | 0.186 |
| R-free | 0.22739 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2cho |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.463 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 57.440 | 2.320 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.080 | 0.480 |
| Number of reflections | 41858 | |
| <I/σ(I)> | 10.8 | 2.6 |
| Completeness [%] | 99.6 | 99.7 |
| Redundancy | 4 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.2M SODIUM MALONATE, 0.1M BIS-TRIS PH8.0, 22% PEG3350 (W/V) |
