2XJ7
BtGH84 in complex with 6-acetamido-6-deoxy-castanospermine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-05-06 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 |
| Unit cell lengths | 51.493, 93.981, 98.815 |
| Unit cell angles | 104.13, 93.88, 103.13 |
Refinement procedure
| Resolution | 47.500 - 2.000 |
| R-factor | 0.2047 |
| Rwork | 0.203 |
| R-free | 0.23914 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2cho |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.587 |
| Data reduction software | DENZO |
| Data scaling software | DENZO |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.050 | 0.450 |
| Number of reflections | 114491 | |
| <I/σ(I)> | 15.4 | 2 |
| Completeness [%] | 97.6 | 96.8 |
| Redundancy | 2.4 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.3M NH4AC, 0.1M MES PH6.0, 13% PEG3350(W/V),10% GLYCEROL |
