1RT1
CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE COMPLEXED WITH MKC-442
Experimental procedure
Source type | SYNCHROTRON |
Source details | SRS BEAMLINE PX7.2 |
Synchrotron site | SRS |
Beamline | PX7.2 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 1994-11-05 |
Detector | MAR scanner 180 mm plate |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 136.800, 109.800, 72.400 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.000 - 2.550 |
R-factor | 0.197 |
Rwork | 0.197 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | A COMBINED MODEL RT-NEVIRAPINE(1VRT) AND APO-RT(1RTJ) |
RMSD bond length | 0.010 |
RMSD bond angle | 24.306 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | X-PLOR (3.1) |
Refinement software | X-PLOR (3.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.640 |
High resolution limit [Å] | 2.550 | 2.550 |
Rmerge | 0.075 | 0.218 |
Total number of observations | 336340 * | |
Number of reflections | 34717 | 3160 * |
<I/σ(I)> | 22.7 | 3.4 |
Completeness [%] | 95.6 | 89.5 |
Redundancy | 9.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, sitting drop * | 5 | 4 * | pH 5.0 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | PEG3400 | 6 (%) | |
2 | 1 | drop | citric acid | 24.25 (mM) | |
3 | 1 | drop | 51.5 (mM) | ||
4 | 1 | reservoir | PEG3400 | 46 (%) |