2X8M
Crystal Structure of CbpF in complex with ipratropium by soaking
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM16 |
Synchrotron site | ESRF |
Beamline | BM16 |
Temperature [K] | 287 |
Detector technology | CCD |
Collection date | 2009-09-25 |
Detector | ADSC CCD |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 52.335, 115.690, 73.201 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.680 - 1.850 |
R-factor | 0.219 |
Rwork | 0.219 |
R-free | 0.25600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2v05 |
RMSD bond length | 0.009 |
RMSD bond angle | 2.500 |
Data reduction software | MOSFLM |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | CNS (1.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.680 | 1.950 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.090 | 0.550 |
Number of reflections | 38611 | |
<I/σ(I)> | 2 | 2 |
Completeness [%] | 99.5 | 99.5 |
Redundancy | 7 | 5.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | pH 6.5 |