6VJ4
1.70 Angstrom Resolution Crystal Structure of Peptidylprolyl Isomerase (PrsA) from Bacillus anthracis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2019-08-18 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 211.679, 39.086, 32.171 |
| Unit cell angles | 90.00, 94.83, 90.00 |
Refinement procedure
| Resolution | 26.440 - 1.700 |
| R-factor | 0.187 |
| Rwork | 0.185 |
| R-free | 0.21520 |
| Structure solution method | SAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.245 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.059 | 0.777 |
| Rmeas | 0.067 | 0.870 |
| Rpim | 0.031 | 0.388 |
| Number of reflections | 29240 | 1408 |
| <I/σ(I)> | 23.7 | 2.4 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 4.6 | 4.7 |
| CC(1/2) | 0.815 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 292 | Protein: 11.9 mg/ml, 0.5M Sodium chloride, 0.01M Tris pH 8.3; Reservoir (Classics II screen, D7): 0.1M Bis-Tris pH 6.5, 25% (w/v) PEG 3350 |
