3X0T
Crystal structure of PirA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13C1 |
| Synchrotron site | NSRRC |
| Beamline | BL13C1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-06-20 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.976 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 78.397, 67.338, 53.669 |
| Unit cell angles | 90.00, 122.80, 90.00 |
Refinement procedure
| Resolution | 47.100 - 1.170 |
| R-factor | 0.13275 |
| Rwork | 0.131 |
| R-free | 0.16926 |
| Structure solution method | SAD |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.465 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHELXS |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.210 |
| High resolution limit [Å] | 1.170 | 1.170 |
| Rmerge | 0.023 | 0.242 |
| Number of reflections | 78388 | |
| <I/σ(I)> | 33.8 | 2.8 |
| Completeness [%] | 99.3 | 96.9 |
| Redundancy | 4 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 298 | 30mM Tris HCl, 100mM NaCl, 1mM DTT, 5% glycerol, 20% PEG 3350, 0.2M KNO3, 15% ethylene glycol, pH 7.4, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
