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, |