2X00
CRYSTAL STRUCTURE OF A-ACHBP IN COMPLEX WITH GYMNODIMINE A
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 | 2007-11-05 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 74.430, 124.320, 130.540 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.000 - 2.400 |
| R-factor | 0.18305 |
| Rwork | 0.180 |
| R-free | 0.23503 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2byr |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.242 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.000 | 2.500 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.100 | 0.470 |
| Number of reflections | 47713 | |
| <I/σ(I)> | 14.4 | 3.9 |
| Completeness [%] | 99.2 | 96.6 |
| Redundancy | 5.2 | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 27-30% PEG-400, 0.1 M HEPES, PH 7.5-7.7, 0.2 M MGCL2 |
