3DRH
Crystal structure of Lactococcal OppA co-crystallized with Leu-enkephalin in an open conformation
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-07-19 |
Detector | ADSC Q210 |
Wavelength(s) | 0.934 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 39.707, 123.007, 59.308 |
Unit cell angles | 90.00, 102.10, 90.00 |
Refinement procedure
Resolution | 41.000 - 1.700 |
R-factor | 0.167 |
Rwork | 0.165 |
R-free | 0.20500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3drf |
RMSD bond length | 0.013 |
RMSD bond angle | 1.339 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.2.25) |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 41.030 | 52.410 | 1.790 |
High resolution limit [Å] | 1.700 | 5.380 | 1.700 |
Rmerge | 0.054 | 0.029 | 0.365 |
Total number of observations | 5268 | 24425 | |
Number of reflections | 60984 | ||
<I/σ(I)> | 10.8 | 18.1 | 2 |
Completeness [%] | 87.1 | 75.7 | 89 |
Redundancy | 1.6 | 1.8 | 1.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 0.2M NaCl, 0.1M Na-Hepes, 20% PEG 6000, pH 7.0, vapor diffusion, hanging drop, temperature 293K |