4RGQ
Crystal structure of the Methanocaldococcus jannaschii G1PDH with NADPH and DHAP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-06-26 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.91160 |
| Spacegroup name | P 1 |
| Unit cell lengths | 59.382, 71.898, 101.697 |
| Unit cell angles | 77.52, 79.54, 75.60 |
Refinement procedure
| Resolution | 46.660 - 2.230 |
| R-factor | 0.18452 |
| Rwork | 0.182 |
| R-free | 0.22865 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4rfl |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.591 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.660 | 2.350 |
| High resolution limit [Å] | 2.220 | 2.220 |
| Number of reflections | 76018 | |
| <I/σ(I)> | 1.8 | |
| Completeness [%] | 98.2 | 96.5 |
| Redundancy | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.6 | 294 | 30% (v/v) P550MME/P20K, 0.1 M hepes, pH 7.6, VAPOR DIFFUSION, SITTING DROP, temperature 294K |
