7XKS
Crystal structure of an alkaline pectate lyase from Bacillus clausii
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17B1 |
Synchrotron site | SSRF |
Beamline | BL17B1 |
Temperature [K] | 295 |
Detector technology | PIXEL |
Collection date | 2020-05-12 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 109.085, 109.085, 44.977 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.270 - 1.780 |
R-factor | 0.1559 |
Rwork | 0.154 |
R-free | 0.18910 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3vmw |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1-4487) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 1.840 |
High resolution limit [Å] | 1.780 | 3.830 | 1.780 |
Rmerge | 0.088 | 0.040 | 0.859 |
Rmeas | 0.093 | 0.042 | 0.905 |
Rpim | 0.029 | 0.013 | 0.283 |
Total number of observations | 276885 | ||
Number of reflections | 26611 | 2868 | 2609 |
<I/σ(I)> | 11.8 | ||
Completeness [%] | 100.0 | 99.8 | 100 |
Redundancy | 10.4 | 9.8 | 10.2 |
CC(1/2) | 0.999 | 0.835 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 295 | 0.05M Mgcl2, 0.1M HEPEs, 30% PEG 550 |