3OQI
Crystal structure of B. licheniformis CDPS yvmC-BLIC in complex with CHES
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL41XU |
Synchrotron site | SPring-8 |
Beamline | BL41XU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-06-19 |
Detector | RAYONIX MX225HE |
Wavelength(s) | 1.0 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 150.946, 55.011, 102.299 |
Unit cell angles | 90.00, 130.61, 90.00 |
Refinement procedure
Resolution | 32.354 - 1.701 |
R-factor | 0.1658 |
Rwork | 0.165 |
R-free | 0.18360 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.060 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER (2.2.4) |
Refinement software | PHENIX (1.6.2_432) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.760 |
High resolution limit [Å] | 1.700 | 3.660 | 1.700 |
Rmerge | 0.085 | 0.033 | 0.566 |
Number of reflections | 70129 | ||
<I/σ(I)> | 8.8 | ||
Completeness [%] | 100.0 | 99.8 | 100 |
Redundancy | 7.5 | 7.4 | 7.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9.5 | 293 | 20% PEG 8000, pH 9.5, vapor diffusion, hanging drop, temperature 293K |