6NAG
X-ray structure of a secreted C11 cysteine protease from Bacteroides thetaiotaomicron "iotapain
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 | 2017-01-19 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 157.677, 157.677, 119.788 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.517 - 2.683 |
R-factor | 0.177 |
Rwork | 0.176 |
R-free | 0.21070 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5l20 |
RMSD bond length | 0.002 |
RMSD bond angle | 0.532 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.520 | 2.730 |
High resolution limit [Å] | 2.680 | 2.680 |
Rmerge | 0.127 | 0.580 |
Rmeas | 0.178 | 0.735 |
Rpim | 0.081 | 0.339 |
Number of reflections | 47832 | 2368 |
<I/σ(I)> | 11.2 | 2.5 |
Completeness [%] | 98.8 | 99 |
Redundancy | 4.6 | 4.5 |
CC(1/2) | 0.986 | 0.719 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5 | 293 | 0.1 M Na Citrate, pH 5.0, 50% MPD, 10 mM L-Proline |