5HLF
STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE In COMPLEX WITH A 38-MER HAIRPIN TEMPLATE-PRIMER DNA APTAMER AND AN ALPHA-CARBOXYPHOSPHONATE INHIBITOR
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-04-22 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.033 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 90.060, 128.560, 132.410 |
Unit cell angles | 90.00, 101.46, 90.00 |
Refinement procedure
Resolution | 43.000 - 2.950 |
R-factor | 0.2102 |
Rwork | 0.208 |
R-free | 0.25740 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5d3g |
RMSD bond length | 0.011 |
RMSD bond angle | 1.434 |
Data reduction software | MOSFLM |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 43.090 | 43.090 | 3.040 |
High resolution limit [Å] | 2.950 | 12.160 | 2.950 |
Rmerge | 0.067 | 0.032 | 0.884 |
Rpim | 0.052 | 0.026 | 0.684 |
Total number of observations | 110137 | 1628 | 9652 |
Number of reflections | 52130 | ||
<I/σ(I)> | 9.1 | 30 | 1.2 |
Completeness [%] | 84.8 | 77.5 | 87.5 |
Redundancy | 2.1 | 2.4 | 2.1 |
CC(1/2) | 0.989 | 0.963 | 0.471 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 7% PEG 8000, 25 MM BISTRIS-PROPANE PH, 6.8, 75 MM BISTRIS-PROPANE PH 7.4, 50 MM AMMONIUM SULFATE, 5% GLYCEROL, 5% SUCROSE |