5J2M
HIV-1 reverse transcriptase in complex with DNA and EFdA-triphosphate, a translocation-defective RT inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 4.2.2 |
Synchrotron site | ALS |
Beamline | 4.2.2 |
Temperature [K] | 100 |
Detector technology | CMOS |
Collection date | 2014-07-30 |
Detector | RDI CMOS_8M |
Wavelength(s) | 1.000 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 167.468, 169.758, 101.951 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 65.231 - 2.432 |
R-factor | 0.2011 |
Rwork | 0.199 |
R-free | 0.23260 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3kk1 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.456 |
Data reduction software | XDS |
Data scaling software | Aimless (0.1.29) |
Phasing software | PHASER (2.5.2) |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 65.230 | 65.230 | 2.500 |
High resolution limit [Å] | 2.432 | 10.320 | 2.430 |
Rmerge | 0.080 | 0.025 | 0.948 |
Rmeas | 0.086 | 0.028 | 1.023 |
Rpim | 0.031 | 0.011 | 0.380 |
Total number of observations | 402756 | 5249 | 28728 |
Number of reflections | 54563 | ||
<I/σ(I)> | 19.8 | 62.4 | 2 |
Completeness [%] | 99.5 | 98.8 | 94.2 |
Redundancy | 7.4 | 6.6 | 6.9 |
CC(1/2) | 0.999 | 0.999 | 0.790 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 291.1 | 8% PEG4000, 25mM MES pH 6.0, 5mM magnesium sulfate |