3X0U
Crystal structure of PirB
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13B1 |
| Synchrotron site | NSRRC |
| Beamline | BL13B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-10-05 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 120.897, 128.618, 117.104 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 26.250 - 1.700 |
| R-factor | 0.15045 |
| Rwork | 0.149 |
| R-free | 0.18046 |
| Structure solution method | SAD |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.731 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHELXS |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.034 | 0.509 |
| Number of reflections | 99668 | |
| <I/σ(I)> | 24.8 | 2.5 |
| Completeness [%] | 99.7 | 99.3 |
| Redundancy | 4.7 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 298 | 20mM Tris, 300mM NaCl, 20% 1,4-butanediol, 0.1M Na-acetate, 15% 2,3-butanediol, pH 4.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
