5CYQ
HIV-1 reverse transcriptase complexed with 4-bromopyrazole
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE F1 |
| Synchrotron site | CHESS |
| Beamline | F1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-07-01 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.918 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 161.887, 73.167, 108.894 |
| Unit cell angles | 90.00, 100.56, 90.00 |
Refinement procedure
| Resolution | 39.748 - 2.147 |
| R-factor | 0.2036 |
| Rwork | 0.203 |
| R-free | 0.22360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4g1q |
| RMSD bond length | 0.003 |
| RMSD bond angle | 1.154 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHENIX |
| Refinement software | PHENIX (dev_1988) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 2.100 |
| Number of reflections | 131079 |
| <I/σ(I)> | 12.78 |
| Completeness [%] | 97.7 |
| Redundancy | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.7 | 277 | 50 mM Imidazole pH 6.6, 10% PEG 8k, 5% PEG400, 100 mM A/S, 15 mM MgSO4, 10 mM Spermine, 5 mM TCEP |
