2W2K
Crystal structure of the apo forms of Rhodotorula graminis D- mandelate dehydrogenase at 1.8A.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX9.6 |
| Synchrotron site | SRS |
| Beamline | PX9.6 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.030, 81.071, 93.955 |
| Unit cell angles | 90.00, 96.27, 90.00 |
Refinement procedure
| Resolution | 25.960 - 1.850 |
| R-factor | 0.156 |
| Rwork | 0.154 |
| R-free | 0.19900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mx3 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.329 |
| Data reduction software | DENZO |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.800 | 1.950 |
| High resolution limit [Å] | 1.800 | 1.850 |
| Rmerge | 0.050 | 0.090 |
| Number of reflections | 59834 | |
| <I/σ(I)> | 0.2 | 9 |
| Completeness [%] | 95.1 | 88.4 |
| Redundancy | 2.4 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6 | 100 MM MES-NAOH PH 6.0, 200 MM NACL, 20% PEG-MME5K, 1% DIOXANE, 1MM DTT. |
