4RAF
Crystal structure of PP2Ca-D38A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 77 |
Detector technology | DIFFRACTOMETER |
Collection date | 2014-03-30 |
Detector | SYNTEX |
Wavelength(s) | 0.98 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 91.262, 91.262, 105.767 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 37.018 - 2.001 |
R-factor | 0.1957 |
Rwork | 0.194 |
R-free | 0.22230 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1a6q |
RMSD bond length | 0.007 |
RMSD bond angle | 1.131 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASES |
Refinement software | PHENIX ((phenix.refine: 1.6.2_432)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.070 |
High resolution limit [Å] | 2.000 | 4.310 | 2.000 |
Number of reflections | 34307 | ||
Completeness [%] | 98.0 | 99 | 100 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 277.15 | 15%(v/v) PEG8000, pH 5.5, 50mM K2HPO4, 2mMDTT, VAPOR DIFFUSION, HANGING DROP, temperature 277.15K |