5J2N
HIV-1 reverse transcriptase in complex with DNA that has incorporated EFdA-MP at the P-(post-translocation) site and dTMP 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 | 2015-10-02 |
Detector | RDI CMOS_8M |
Wavelength(s) | 1.000 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 166.827, 169.885, 102.656 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 53.623 - 2.896 |
R-factor | 0.2131 |
Rwork | 0.212 |
R-free | 0.24200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | pdbid 5J2M |
RMSD bond length | 0.002 |
RMSD bond angle | 0.443 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.12) |
Phasing software | PHASER (2.5.7) |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 53.620 | 53.620 | 3.040 |
High resolution limit [Å] | 2.880 | 9.120 | 2.880 |
Rmerge | 0.138 | 0.039 | 0.883 |
Rmeas | 0.149 | 0.042 | 0.962 |
Rpim | 0.055 | 0.016 | 0.376 |
Total number of observations | 238525 | 7746 | 27685 |
Number of reflections | 32900 | ||
<I/σ(I)> | 13.4 | 41.2 | 2 |
Completeness [%] | 99.0 | 99.6 | 93 |
Redundancy | 7.2 | 6.8 | 6.2 |
CC(1/2) | 0.997 | 0.999 | 0.669 |
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 |