2CLP
Crystal structure of human aflatoxin B1 aldehyde reductase member 3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-08-05 |
| Detector | MARRESEARCH |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 126.963, 126.963, 490.497 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 164.400 - 3.000 |
| R-factor | 0.24 |
| Rwork | 0.239 |
| R-free | 0.25300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2bp1 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.158 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 59.090 | 3.100 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.090 | 0.500 |
| Number of reflections | 92971 | |
| <I/σ(I)> | 11.16 | 2.22 |
| Completeness [%] | 99.7 | 97.6 |
| Redundancy | 4.98 | 4.84 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 600 NL SITTING DROPS 0.05 M CACL2, 10% ETHYLENE-GLYCOL, 0.1 M TRIS PH 8, 20% PEG6000 |
