2VDG
Barley Aldose Reductase 1 complex with butanol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X13 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X13 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-09-17 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 57.074, 61.245, 87.320 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 16.200 - 1.920 |
| R-factor | 0.179 |
| Rwork | 0.177 |
| R-free | 0.21400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2bgs |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.661 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.900 | 2.060 |
| High resolution limit [Å] | 1.920 | 1.920 |
| Rmerge | 0.120 | 0.310 |
| Number of reflections | 53741 | |
| <I/σ(I)> | 3.6 | 2.1 |
| Completeness [%] | 87.5 | 89.9 |
| Redundancy | 2.7 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 3.2 M AMSO4, 0.1 M HEPES PH 7.0, 20% BUTANOL |
