4KKT
Crystal Structure of BesA (P21 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 | P 1 21 1 |
| Unit cell lengths | 78.200, 73.740, 152.230 |
| Unit cell angles | 90.00, 98.06, 90.00 |
Refinement procedure
| Resolution | 73.270 - 2.530 |
| R-factor | 0.25882 |
| Rwork | 0.257 |
| R-free | 0.28550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4kku |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.656 |
| 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] | 73.740 | 2.600 |
| High resolution limit [Å] | 2.530 | 2.530 |
| Number of reflections | 54853 | |
| Completeness [%] | 95.6 | 87.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.7 | 288 | 0.1M phosphate/citrate pH 4.7, 25% PEG 6,000, VAPOR DIFFUSION, SITTING DROP, temperature 288K |
