9END
Crystal structure of Methanopyrus kandleri malate dehydrogenase mutant 3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-3 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-3 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-11-14 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 0.96770 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 78.820, 78.820, 251.510 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.780 - 1.950 |
| R-factor | 0.1967 |
| Rwork | 0.195 |
| R-free | 0.23010 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.048 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21_5207) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.000 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Number of reflections | 58752 | 4274 |
| <I/σ(I)> | 5.93 | 1.4 |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 7.75 | 8.18 |
| CC(1/2) | 0.978 | 0.518 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.2 M potassium citrate tribasic monohydrate, 24% PEG 3350 |
