4E6X
ClbP in complex boron-based inhibitor
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 | 105.050, 152.530, 86.890 |
| Unit cell angles | 90.00, 123.43, 90.00 |
Refinement procedure
| Resolution | 52.550 - 2.240 |
| R-factor | 0.20286 |
| Rwork | 0.200 |
| R-free | 0.24925 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3o3v |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.713 |
| 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] | 52.600 | 2.360 |
| High resolution limit [Å] | 2.240 | 2.240 |
| Number of reflections | 40985 | |
| Completeness [%] | 79.0 | 80.9 |
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 |
