4MWS
Crystal structure of human PPCA (trigonal crystal form 1)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-08-12 |
Detector | PILATUS CBF |
Wavelength(s) | 0.9792 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 134.889, 134.889, 99.805 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.890 - 2.800 |
R-factor | 0.1489 |
Rwork | 0.146 |
R-free | 0.19510 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ivy |
RMSD bond length | 0.008 |
RMSD bond angle | 1.164 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.850 |
High resolution limit [Å] | 2.800 | 7.590 | 2.800 |
Rmerge | 0.149 | 0.085 | 0.884 |
Number of reflections | 25989 | ||
<I/σ(I)> | 5.5 | ||
Completeness [%] | 99.0 | 96.8 | 98 |
Redundancy | 5.5 | 5.2 | 5.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 10% PEG 3350, 0.1M sodium formate, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |