5XEX
Crystal structure of S.aureus PNPase catalytic domain
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-09-16 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.97846 |
| Spacegroup name | P 1 |
| Unit cell lengths | 93.699, 93.773, 130.242 |
| Unit cell angles | 98.22, 95.34, 120.01 |
Refinement procedure
| Resolution | 49.240 - 2.200 |
| R-factor | 0.22416 |
| Rwork | 0.223 |
| R-free | 0.24852 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3cdi |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.470 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.240 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.099 | 0.389 |
| Number of reflections | 171703 | |
| <I/σ(I)> | 14.7 | 2.5 |
| Completeness [%] | 91.4 | 76.2 |
| Redundancy | 3.3 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2M CaCl2, 0.1M HEPES, 28% (v/v) PEG 400, pH 7.5 |
