8IT5
Phosphoglycerate mutase 1 complexed with a compound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2021-05-23 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97915 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 82.377, 85.362, 102.577 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 26.890 - 2.200 |
R-factor | 0.1908 |
Rwork | 0.189 |
R-free | 0.22910 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 0.903 |
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 | 2.280 |
High resolution limit [Å] | 2.200 | 4.740 | 2.200 |
Rmerge | 0.149 | 0.110 | 0.898 |
Rmeas | 0.155 | 0.115 | 0.935 |
Rpim | 0.043 | 0.034 | 0.258 |
Total number of observations | 492979 | ||
Number of reflections | 37813 | 4013 | 3712 |
<I/σ(I)> | 3.9 | ||
Completeness [%] | 100.0 | 100 | 100 |
Redundancy | 13 | 11.9 | 13 |
CC(1/2) | 0.989 | 0.994 | 0.851 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 289 | PEG3350, 100mM MES 6.0 |