4KKS
Crystal Structure of BesA (C2 form)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-07-11 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.98 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 83.200, 52.500, 76.530 |
| Unit cell angles | 90.00, 98.04, 90.00 |
Refinement procedure
| Resolution | 44.300 - 2.600 |
| R-factor | 0.20955 |
| Rwork | 0.206 |
| R-free | 0.28626 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4kku |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.588 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.300 | 2.720 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Number of reflections | 9732 | |
| Completeness [%] | 95.6 | 80.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.2 | 288 | 0.1M citrate, 30% PEG 300, pH 4.2, VAPOR DIFFUSION, SITTING DROP, temperature 288K |
