4BOE
Japanin from Rhipicephalus appendiculatus bound to cholesterol: Tetragonal 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 | 2010-04-28 |
| Detector | ADSC CCD |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 84.330, 84.330, 90.520 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 61.700 - 2.240 |
| R-factor | 0.1794 |
| Rwork | 0.178 |
| R-free | 0.19770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qft |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.050 |
| 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] | 84.300 | 2.300 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.080 | 0.620 |
| Number of reflections | 16985 | |
| <I/σ(I)> | 15.2 | 2.2 |
| Completeness [%] | 98.9 | 93.2 |
| Redundancy | 8.6 | 4.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 0.1 M IMIDAZOLE PH 7.0 AND 50% V/V 1-METHYL-PENTAN-(2,4)DIOL (MPD). |
