8QUY
Hexameric HIV-1 CA in complex with DDD01728501
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-05-23 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.9763 |
Spacegroup name | P 6 |
Unit cell lengths | 90.760, 90.760, 57.000 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.380 - 1.880 |
R-factor | 0.18117 |
Rwork | 0.179 |
R-free | 0.21524 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.023 |
RMSD bond angle | 1.979 |
Data reduction software | XDS |
Data scaling software | xia2 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.380 | 1.910 |
High resolution limit [Å] | 1.880 | 1.880 |
Rmerge | 0.090 | 1.030 |
Number of reflections | 21682 | 1069 |
<I/σ(I)> | 12.4 | 1.6 |
Completeness [%] | 99.9 | 98.1 |
Redundancy | 5.4 | 4.6 |
CC(1/2) | 0.990 | 0.520 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 290 | 0.1M Tris buffer, pH 8.0 to 9.0, 10-15% PEG550MME, 0.15M KSCN |