3OQJ
Crystal structure of B. licheniformis CDPS yvmC-BLIC in complex with CAPSO
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 | 2010-07-20 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 150.856, 54.713, 101.521 |
| Unit cell angles | 90.00, 130.44, 90.00 |
Refinement procedure
| Resolution | 38.630 - 2.399 |
| R-factor | 0.1818 |
| Rwork | 0.178 |
| R-free | 0.22530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.063 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.2.4) |
| Refinement software | PHENIX (1.6.4_486) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.490 |
| High resolution limit [Å] | 2.399 | 5.170 | 2.400 |
| Rmerge | 0.077 | 0.034 | 0.401 |
| Number of reflections | 24915 | ||
| <I/σ(I)> | 9.5 | ||
| Completeness [%] | 100.0 | 100 | 100 |
| Redundancy | 5 | 4.9 | 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 |
