5M3U
The X-ray structure of human V216F phosphoglycerate kinase 1 mutant
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 | 2016-03-06 |
| Detector | DECTRIS EIGER R 4M |
| Wavelength(s) | 0.9677 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 35.650, 106.031, 50.097 |
| Unit cell angles | 90.00, 98.71, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.810 |
| R-factor | 0.19442 |
| Rwork | 0.192 |
| R-free | 0.24159 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2zgv |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.735 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.920 |
| High resolution limit [Å] | 1.810 | 1.810 |
| Rmerge | 0.080 | 0.560 |
| Number of reflections | 32377 | |
| <I/σ(I)> | 11.22 | 1.88 |
| Completeness [%] | 96.0 | 79.1 |
| Redundancy | 4.5 | 3.84 |
| CC(1/2) | 0.997 | 0.753 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 2.2-2.5 M NAKPO4, PH 8.2-8.4, |
