5O7D
The X-ray structure of human R38M phosphoglycerate kinase 1 mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-07-29 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.873 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 36.050, 106.680, 50.690 |
| Unit cell angles | 90.00, 97.32, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.840 |
| R-factor | 0.22765 |
| Rwork | 0.226 |
| R-free | 0.26684 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2x13 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.472 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.871 |
| High resolution limit [Å] | 1.840 | 1.840 |
| Rmerge | 0.155 | 0.800 |
| Rpim | 0.097 | 0.501 |
| Number of reflections | 31685 | 1650 |
| <I/σ(I)> | 10.5 | |
| Completeness [%] | 96.1 | 99.5 |
| Redundancy | 6.9 | 6.9 |
| CC(1/2) | 0.996 | 0.367 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | PEG2K-MME 28-34%, bis-tris 0.1M pH 7 |
