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 |