7CMO
Crystal structure of human inorganic pyrophosphatase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 200 |
Detector technology | CCD |
Collection date | 2017-11-27 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.987 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 49.905, 135.041, 212.707 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.060 - 3.400 |
R-factor | 0.2234 |
Rwork | 0.221 |
R-free | 0.27730 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6c45 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | REFMAC |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.970 | 3.521 |
High resolution limit [Å] | 2.597 | 3.400 |
Number of reflections | 20300 | 20287 |
<I/σ(I)> | 7.7 | |
Completeness [%] | 97.5 | |
Redundancy | 3.05 | |
CC(1/2) | 0.998 | 0.998 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 20%PEG4K, 50mM Li2SO4,50 Mm Na2SO4,pH 5.5 |