7L6Z
Crystal Structure of Peptidyl-Prolyl Cis-Trans Isomerasefrom (PpiB) Streptococcus pneumoniae R6
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 | 2019-07-24 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 88.432, 156.529, 90.535 |
| Unit cell angles | 90.00, 117.18, 90.00 |
Refinement procedure
| Resolution | 29.970 - 1.880 |
| R-factor | 0.1748 |
| Rwork | 0.173 |
| R-free | 0.21240 |
| Structure solution method | SAD |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.329 |
| 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 | 1.910 |
| High resolution limit [Å] | 1.880 | 1.880 |
| Rmerge | 0.087 | 0.758 |
| Rmeas | 0.098 | 0.857 |
| Rpim | 0.045 | 0.393 |
| Number of reflections | 175455 | 8741 |
| <I/σ(I)> | 16.6 | 2.3 |
| Completeness [%] | 99.1 | 99.1 |
| Redundancy | 4.4 | 4.4 |
| CC(1/2) | 0.725 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 292 | Protein: 5.0 mg/ml, 0.01M Tris pH 8.3;Screen: PACT (B8), 0.2M Ammonium chloride, 0.1M MES pH 6.0, 20% (w/v) PEG6000. |
