2X0H
BtGH84 Michaelis complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-07-04 |
| Detector | ADSC CCD |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 51.630, 163.147, 224.549 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.080 - 2.210 |
| R-factor | 0.19581 |
| Rwork | 0.194 |
| R-free | 0.22589 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2cho |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.495 |
| 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] | 50.000 | 2.250 |
| High resolution limit [Å] | 2.210 | 2.210 |
| Rmerge | 0.110 | 0.480 |
| Number of reflections | 95890 | |
| <I/σ(I)> | 23.4 | 4.3 |
| Completeness [%] | 99.4 | 99.8 |
| Redundancy | 9.1 | 5.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.1M IMIDAZOLE PH 8.0, 10% PEG8000 (W/V), 3% TRIMETHYLAMINE N-OXIDE DIHYDRATE |
