1VP5
Crystal structure of 2,5-diketo-D-gluconic acid reductase (TM1009) from Thermotoga maritima at 2.40 A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-04-03 |
| Detector | ADSC |
| Spacegroup name | P 65 |
| Unit cell lengths | 94.314, 94.314, 146.855 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 24.930 - 2.400 |
| R-factor | 0.15363 |
| Rwork | 0.151 |
| R-free | 0.20258 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | REFINEMENT STARTING MODEL |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.672 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (4.2)) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0001) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.930 | 2.460 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Number of reflections | 28944 | |
| <I/σ(I)> | 15.6 | 2.4 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 7.4 | 7.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION,SITTING DROP,NANODROP | 5.6 | 277 | 5.0% Glycerol, 19.0% iso-Propanol, 19.0% PEG-4000, 0.1M Citrate pH 5.6, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K |
