8FCE
HIV-1 Reverse Transcriptase in complex with 7-membered bicyclic core NNRTI
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 170 |
Detector technology | PIXEL |
Collection date | 2019-08-19 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 118.843, 154.638, 153.447 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.110 - 2.770 |
R-factor | 0.2036 |
Rwork | 0.200 |
R-free | 0.26160 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.071 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHENIX |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.300 | 2.890 |
High resolution limit [Å] | 2.770 | 2.770 |
Number of reflections | 36293 | 4371 |
<I/σ(I)> | 13.4 | 2.3 |
Completeness [%] | 100.0 | |
Redundancy | 13 | |
CC(1/2) | 0.998 | 0.761 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 0.9 K/Na tartrate 100mM MES pH 6.0 |