4S3K
Crystal structure of the Bacillus megaterium QM B1551 spore cortex-lytic enzyme SleL
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-03-10 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9795 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 63.439, 80.496, 90.328 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.248 - 1.700 |
R-factor | 0.1679 |
Rwork | 0.167 |
R-free | 0.18440 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.004 |
RMSD bond angle | 0.864 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX (1.9_1692) |
Refinement software | PHENIX ((phenix.refine: 1.9_1692)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.630 | 1.790 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.087 | 0.725 |
Number of reflections | 51055 | |
<I/σ(I)> | 11.6 | 2.1 |
Completeness [%] | 99.4 | 98.6 |
Redundancy | 5 | 5.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 292 | 0.2 M sodium sulfate, 20% (w/v) PEG 3,350, VAPOR DIFFUSION, SITTING DROP, temperature 292K |