5L20
Crystal Structure of a Clostripain (BT_0727) from Bacteroides thetaiotaomicron ATCC 29148 in Complex with Peptide Inhibitor BTN-VLTK-AOMK
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-06-27 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97946 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 79.207, 102.885, 84.186 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.900 - 1.450 |
R-factor | 0.1513 |
Rwork | 0.150 |
R-free | 0.17900 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.299 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER (2.5.6) |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.900 | 1.480 |
High resolution limit [Å] | 1.450 | 1.450 |
Rmerge | 0.087 | 0.561 |
Number of reflections | 54597 | |
<I/σ(I)> | 21.8 | 1.9 |
Completeness [%] | 89.0 | 44 |
Redundancy | 6.4 | 3.8 |
CC(1/2) | 0.957 | 0.774 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 277 | 0.1M Na Citrate, 30% PEG 6000, 2M LiCl |