8TCM
Crystal Structure of modified HIV reverse transcriptase p51 domain (FPC1) with picric acid and Xanthene-1,3,6,8-tetrol bound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-12-07 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.514 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 77.309, 99.406, 104.747 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 22.520 - 1.820 |
R-factor | 0.1949 |
Rwork | 0.194 |
R-free | 0.22300 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.014 |
RMSD bond angle | 1.206 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.850 |
High resolution limit [Å] | 1.820 | 1.820 |
Rmeas | 0.041 | 0.451 |
Rpim | 0.016 | 0.266 |
Number of reflections | 36046 | 1454 |
<I/σ(I)> | 15.1 | |
Completeness [%] | 98.7 | 81.2 |
Redundancy | 6.2 | 2.4 |
CC(1/2) | 0.897 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | protein: 25mg/ml, 10mM Tris pH 7.4, 40mM NaCl, 1mM TCEP, 0.25mM azide, 10mM picric acid ML: 10% PEG6000, .1M MES pH 6.5 |