4E6W
ClbP in complex with 3-aminophenyl boronic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-08-27 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9763 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 104.490, 149.360, 88.240 |
Unit cell angles | 90.00, 124.21, 90.00 |
Refinement procedure
Resolution | 52.200 - 2.190 |
R-factor | 0.19738 |
Rwork | 0.195 |
R-free | 0.24031 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3o3v |
RMSD bond length | 0.013 |
RMSD bond angle | 1.510 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 52.200 | 2.310 |
High resolution limit [Å] | 2.190 | 2.190 |
Number of reflections | 54118 | |
Completeness [%] | 99.7 | 99.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | potassium phosphate, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |