5Y65
Phosphoglycerate mutase 1 complexed with a small molecule inhibitor KH2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL18U1 |
Synchrotron site | SSRF |
Beamline | BL18U1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-04-01 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97780 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 79.193, 82.929, 99.797 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.898 - 2.554 |
R-factor | 0.2001 |
Rwork | 0.198 |
R-free | 0.24800 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.237 |
Data scaling software | HKL-2000 |
Phasing software | PHASER (2.5.5) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.640 |
High resolution limit [Å] | 2.550 | 5.490 | 2.550 |
Rmerge | 0.108 | 0.057 | 0.744 |
Rmeas | 0.119 | 0.063 | 0.813 |
Rpim | 0.048 | 0.025 | 0.322 |
Total number of observations | 133070 | ||
Number of reflections | 21841 | 2356 | 2128 |
<I/σ(I)> | 6.8 | ||
Completeness [%] | 99.4 | 99.6 | 99.9 |
Redundancy | 6.1 | 6 | 6.1 |
CC(1/2) | 0.997 | 0.812 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 289 | MES pH 6.0, 8%PEG3350 |