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 |
