2X8O
Crystal Structure of CbpF in complex with Atropine 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 | 2009-03-19 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 52.409, 116.752, 73.889 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.700 - 2.030 |
| R-factor | 0.222 |
| Rwork | 0.222 |
| R-free | 0.26000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2v05 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 2.300 |
| Data reduction software | XDS |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 24.700 | 2.140 |
| High resolution limit [Å] | 2.030 | 2.030 |
| Rmerge | 0.090 | 0.590 |
| Number of reflections | 29759 | |
| <I/σ(I)> | 13.4 | 2.4 |
| Completeness [%] | 98.6 | 90.5 |
| Redundancy | 6.8 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | pH 6.5 |
