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) |