4BQU
Japanin from Rhipicephalus appendiculatus bound to cholesterol: Orthorhombic crystal form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 120 |
| Detector technology | CCD |
| Collection date | 2011-02-28 |
| Detector | ADSC CCD |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 80.180, 133.600, 71.280 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.480 - 2.360 |
| R-factor | 0.1987 |
| Rwork | 0.196 |
| R-free | 0.25330 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4boe |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.140 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.4) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.500 | 2.500 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.110 | 0.670 |
| Number of reflections | 15750 | |
| <I/σ(I)> | 10.1 | 2.2 |
| Completeness [%] | 97.6 | 81.7 |
| Redundancy | 6.1 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.5 | 0.2 LITHIUM SULFATE, 0.1 M SODIUM ACETATE PH 4.5 AND 50% V/V PEG 400 |
