2XM1
BtGH84 in complex with N-acetyl gluconolactam
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-04-19 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 |
| Unit cell lengths | 51.398, 94.081, 99.462 |
| Unit cell angles | 104.70, 94.02, 102.92 |
Refinement procedure
| Resolution | 47.840 - 2.000 |
| R-factor | 0.18164 |
| Rwork | 0.180 |
| R-free | 0.22010 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2cho |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.275 |
| 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] | 49.630 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.040 | 0.150 |
| Number of reflections | 114572 | |
| <I/σ(I)> | 15.3 | 4.9 |
| Completeness [%] | 97.4 | 96.5 |
| Redundancy | 2.2 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.3M AMMONIUM ACETATE, 0.1M MES PH6.0, 10% GLYCEROL, 15% PEG3350(W/V) |
