5DYN
B. fragilis cysteine protease
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 | 2014-02-02 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9787 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 124.320, 48.900, 60.880 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.430 - 2.480 |
| R-factor | 0.1775 |
| Rwork | 0.175 |
| R-free | 0.22250 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3uws |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.690 |
| Data reduction software | xia2 |
| Data scaling software | XDS |
| Phasing software | PHENIX (1.9_1692) |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.430 | 2.570 |
| High resolution limit [Å] | 2.480 | 2.480 |
| Rmerge | 0.130 | 0.800 |
| Number of reflections | 13750 | |
| <I/σ(I)> | 14.88 | 2.58 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 7.22 | 7.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 292 | 200 mM Ammonium Citrate Dibasic (pH 5), 25% (w/v) pEG3350 |
