4YEC
Crystal structure of a clostripain (PARMER_00083) from Parabacteroides merdae ATCC 43184 in complex with peptide inhibitor Ac-VLTK-AOMK
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-12-14 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.0332 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 38.886, 107.344, 40.937 |
| Unit cell angles | 90.00, 116.59, 90.00 |
Refinement procedure
| Resolution | 36.610 - 1.120 |
| R-factor | 0.159 |
| Rwork | 0.158 |
| R-free | 0.19110 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3uws |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.390 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.610 | 1.140 |
| High resolution limit [Å] | 1.120 | 1.120 |
| Rmerge | 0.106 | 0.327 |
| Number of reflections | 90762 | |
| <I/σ(I)> | 9.32 | 2.1 |
| Completeness [%] | 78.9 | 14.6 |
| Redundancy | 3 | 1.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.3 | 277 | 0.05M NH4CL, 20.0% PEG-3350, NO BUFFER |
