2BP1
Structure of the aflatoxin aldehyde reductase in complex with NADPH
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 | 2005-03-13 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 |
| Unit cell lengths | 58.989, 78.786, 86.019 |
| Unit cell angles | 88.72, 71.14, 75.22 |
Refinement procedure
| Resolution | 40.000 - 2.400 |
| R-factor | 0.157 |
| Rwork | 0.155 |
| R-free | 0.20500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1gve |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.402 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.980 | 2.500 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.080 | 0.250 |
| Number of reflections | 49989 | |
| <I/σ(I)> | 6.4 | 1.9 |
| Completeness [%] | 91.0 | 60 |
| Redundancy | 1.62 | 0.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | SITTING DROP RESERVOIR: 0.2 M AMMONIUM CITRATE 20 % PEG3350 PROTEIN: 0.01 M HEPES PH 7.5 0.5 M NACL 5 % GLYCEROL 0.5 % TCEP |
