2XDE
Crystal structure of the complex of PF-3450074 with an engineered HIV capsid N terminal domain
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-11-20 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.756, 71.035, 41.419 |
| Unit cell angles | 90.00, 90.41, 90.00 |
Refinement procedure
| Resolution | 20.720 - 1.400 |
| R-factor | 0.19546 |
| Rwork | 0.195 |
| R-free | 0.25400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | TRUNCATED MODEL OF N TERMINAL CAPSID |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.385 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.480 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.060 | 0.060 |
| Number of reflections | 44735 | |
| Completeness [%] | 98.8 | 99.4 |
| Redundancy | 3.4 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | 2ULOF PROTEIN (30MG/ML)AND 2UL OF WELL SOLUTION (20% PEG 8000, 100 MM PHOSPHATE-CITRATE PH 4.2 AND 200 MM SODIUM CHLORIDE |
