5J2Q
HIV-1 reverse transcriptase in complex with DNA that has incorporated a mismatched EFdA-MP at the N-(pre-translocation) site
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 | 165.557, 170.512, 102.235 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 64.330 - 2.789 |
R-factor | 0.2138 |
Rwork | 0.212 |
R-free | 0.25200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | pdbid 5J2M |
RMSD bond length | 0.002 |
RMSD bond angle | 0.467 |
Data reduction software | XDS |
Data scaling software | Aimless (0.1.29) |
Phasing software | PHASER (2.5.7) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 64.330 | 64.330 | 2.910 |
High resolution limit [Å] | 2.790 | 9.660 | 2.790 |
Rmerge | 0.079 | 0.022 | 0.992 |
Rmeas | 0.085 | 0.023 | 1.067 |
Rpim | 0.031 | 0.009 | 0.390 |
Total number of observations | 269604 | 6337 | 31561 |
Number of reflections | 36351 | ||
<I/σ(I)> | 21.5 | 73.3 | 1.9 |
Completeness [%] | 99.7 | 98 | 97.8 |
Redundancy | 7.4 | 6.7 | 7.3 |
CC(1/2) | 0.999 | 1.000 | 0.812 |
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 |