2XM2
BtGH84 in complex with LOGNAc
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 | P 1 |
| Unit cell lengths | 51.510, 93.440, 98.920 |
| Unit cell angles | 104.12, 94.26, 102.92 |
Refinement procedure
| Resolution | 43.700 - 1.950 |
| R-factor | 0.18292 |
| Rwork | 0.181 |
| R-free | 0.22084 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2cho |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.520 |
| 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] | 44.650 | 2.060 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.060 | 0.310 |
| Number of reflections | 119746 | |
| <I/σ(I)> | 8.1 | 2.3 |
| Completeness [%] | 95.1 | 93.8 |
| Redundancy | 2.1 | 2.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.3M AMMONIUM ACETATE, 0.1M MES PH6.0, 15% PEG3350(W/V), 10% GLYCEROL |
