7L71
Crystal Structure of the PDZ Domain of the Serine Peptidase HtrA from Streptococcus agalactiae.
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 | 88.878, 29.330, 35.827 |
| Unit cell angles | 90.00, 101.45, 90.00 |
Refinement procedure
| Resolution | 20.640 - 0.970 |
| R-factor | 0.1396 |
| Rwork | 0.139 |
| R-free | 0.15010 |
| Structure solution method | SAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.558 |
| 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 | 0.990 |
| High resolution limit [Å] | 0.970 | 0.970 |
| Rmerge | 0.082 | 0.787 |
| Rmeas | 0.088 | 0.846 |
| Rpim | 0.032 | 0.304 |
| Number of reflections | 49931 | 1981 |
| <I/σ(I)> | 30.9 | 4.7 |
| Completeness [%] | 92.8 | 73.9 |
| Redundancy | 8.2 | 7.4 |
| CC(1/2) | 0.904 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 292 | Protein: 8.0 mg/ml, 0.01M Tris pH 8.3;Screen: PACT (D4), 0.1M MMT buffer pH 7.0, 25% (w/v) PEG 1500. |
