8IT6
Phosphoglycerate mutase 1 complexed with a compound
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 | 2021-07-05 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97915 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 82.545, 88.584, 95.680 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.010 - 2.550 |
R-factor | 0.1962 |
Rwork | 0.193 |
R-free | 0.26710 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.047 |
Data scaling software | HKL-3000 |
Refinement software | PHENIX ((1.19.2_4158: ???)) |
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 | 0.148 | 0.058 | 0.838 |
Rmeas | 0.156 | 0.061 | 0.877 |
Rpim | 0.047 | 0.019 | 0.258 |
Total number of observations | 254110 | ||
Number of reflections | 23615 | 2521 | 2319 |
<I/σ(I)> | 3.7 | ||
Completeness [%] | 99.9 | 99.6 | 100 |
Redundancy | 10.8 | 9.9 | 11.3 |
CC(1/2) | 0.993 | 0.998 | 0.887 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 289 | PEG3350, 100mM MES 6.0 |