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 |
