6D4B
Crystal structure of Candida boidinii formate dehydrogenase V123A 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 | 2016-01-13 |
| Detector | RDI CMOS_8M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 51.171, 116.098, 63.088 |
| Unit cell angles | 90.00, 106.84, 90.00 |
Refinement procedure
| Resolution | 44.937 - 1.450 |
| R-factor | 0.1551 |
| Rwork | 0.154 |
| R-free | 0.18030 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5dn9 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.042 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.10_2155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.937 | 1.470 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Number of reflections | 122618 | |
| <I/σ(I)> | 15.5 | |
| Completeness [%] | 94.9 | |
| Redundancy | 3.5 |
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 |
