8ABU
Crystal structure of NaLdpA mutant H97Q in complex with erythro-DGPD
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-10-22 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 113.384, 66.002, 107.051 |
| Unit cell angles | 90.00, 108.67, 90.00 |
Refinement procedure
| Resolution | 56.234 - 1.661 |
| Rwork | 0.167 |
| R-free | 0.20090 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7xxx |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.701 |
| Data reduction software | autoPROC |
| Data scaling software | STARANISO |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 56.234 | 1.804 |
| High resolution limit [Å] | 1.661 | 1.661 |
| Rmerge | 0.087 | 1.144 |
| Rpim | 0.036 | 0.467 |
| Number of reflections | 69923 | 3497 |
| <I/σ(I)> | 12.8 | 1.6 |
| Completeness [%] | 94.0 | 55.1 |
| Redundancy | 7 | 6.9 |
| CC(1/2) | 0.999 | 0.653 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 20% PEG 500 MME, 10% PEG 20000, 0.03 M MgCl2, 0.03 M CaCl2, 0.1 M Imidazole/MES buffer pH 6.5 |
