1N2S
CRYSTAL STRUCTURE OF DTDP-6-DEOXY-L-LYXO-4-HEXULOSE REDUCTASE (RMLD) IN COMPLEX WITH NADH
Replaces: 1KC0Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-09-19 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 47.435, 71.572, 82.281 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 81.700 - 2.000 |
| R-factor | 0.202 |
| Rwork | 0.199 |
| R-free | 0.25300 |
| Structure solution method | MAD |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.863 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.230 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.080 | 0.478 |
| Number of reflections | 19137 | |
| <I/σ(I)> | 5.6 | 1.5 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 298 | Tris, PEG 4000, MgCl2, pH 8.0, VAPOR DIFFUSION, SITTING DROP at 298K |
