6A29
Crystal structure of PprA A139R mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-11-20 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.190, 272.260, 104.887 |
| Unit cell angles | 90.00, 98.64, 90.00 |
Refinement procedure
| Resolution | 48.631 - 2.399 |
| R-factor | 0.2154 |
| Rwork | 0.212 |
| R-free | 0.27090 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.160 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.631 | 2.440 |
| High resolution limit [Å] | 2.399 | 2.400 |
| Rmerge | 0.103 | 0.702 |
| Number of reflections | 106269 | 5354 |
| <I/σ(I)> | 31.3 | 3.2 |
| Completeness [%] | 99.8 | 99.8 |
| Redundancy | 7.5 | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 0.1 M Tris buffer (pH 8.5) containing 0.2 M LiSO4 and 30% PEG3350 |
