5DN9
Crystal structure of Candida boidinii formate dehydrogenase complexed with NAD+ and azide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 4.2.2 |
| Synchrotron site | ALS |
| Beamline | 4.2.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-04-23 |
| Detector | NOIR-1 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.931, 116.617, 63.208 |
| Unit cell angles | 90.00, 106.90, 90.00 |
Refinement procedure
| Resolution | 41.976 - 1.500 |
| R-factor | 0.1398 |
| Rwork | 0.138 |
| R-free | 0.16910 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2j6i |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.288 |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.980 | 1.580 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.051 | 0.331 |
| Number of reflections | 107639 | |
| <I/σ(I)> | 14.8 | 3.4 |
| Completeness [%] | 95.5 | 88.5 |
| Redundancy | 3.1 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 0.1 M HEPES, 25% PEG 3000, pH 7.5 |
