6D4C
Crystal structure of Candida boidinii formate dehydrogenase V123G mutant 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 | CMOS |
| Collection date | 2016-08-03 |
| Detector | RDI CMOS_8M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.188, 115.899, 65.469 |
| Unit cell angles | 90.00, 108.56, 90.00 |
Refinement procedure
| Resolution | 45.985 - 1.450 |
| R-factor | 0.1606 |
| Rwork | 0.159 |
| R-free | 0.18450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5dn9 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.010 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.10_2155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.985 | 1.470 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Number of reflections | 123164 | |
| <I/σ(I)> | 13.3 | |
| Completeness [%] | 91.4 | |
| Redundancy | 3.7 |
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 |
