9UNZ
Crystal structure of the V165A/S219E/A225P mutant of alanine dehyrogenase from Geobacillus stearothermophilus in complex with nicotinamide cytosine dinucleotide
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL10U2 |
| Synchrotron site | SSRF |
| Beamline | BL10U2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-09-11 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 89.441, 155.752, 178.091 |
| Unit cell angles | 90.00, 98.25, 90.00 |
Refinement procedure
| Resolution | 46.000 - 2.560 |
| R-factor | 0.1958 |
| Rwork | 0.193 |
| R-free | 0.24430 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.511 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.15.1_3469) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.720 | 2.651 |
| High resolution limit [Å] | 2.560 | 2.560 |
| Rmerge | 0.147 | 0.957 |
| Number of reflections | 152484 | 15160 |
| <I/σ(I)> | 10.74 | |
| Completeness [%] | 97.7 | 97.81 |
| Redundancy | 5.3 | 5.5 |
| CC(1/2) | 0.993 | 0.993 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | Index H10: 0.2 M tri-Sodium Citrate dihydrate,20% w/v Polyethylene Glycol 3350 |
