4D1Y
Crystal structure of a putative protease from Bacteroides thetaiotaomicron.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ELETTRA BEAMLINE 5.2R |
| Synchrotron site | ELETTRA |
| Beamline | 5.2R |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-04-28 |
| Detector | DECTRIS PILATUS 2M |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 122.601, 40.851, 71.645 |
| Unit cell angles | 90.00, 108.34, 90.00 |
Refinement procedure
| Resolution | 58.186 - 2.600 |
| R-factor | 0.2163 |
| Rwork | 0.214 |
| R-free | 0.25970 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3cne |
| RMSD bond length | 0.015 |
| RMSD bond angle | 0.593 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 68.000 | 2.720 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.060 | 0.340 |
| Number of reflections | 10483 | |
| <I/σ(I)> | 13.9 | 2.8 |
| Completeness [%] | 98.7 | 97 |
| Redundancy | 3.1 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | PROTEIN WAS CRYSTALLIZED FROM 11.5% (W/V) PEG 4000, 92 MM CALCIUM CHLORIDE, 50 MM TRISHCL, PH 8.5 |
