8QUK
Hexameric HIV-1 CA in complex with DDD00100439
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 | 2016-07-16 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.976 |
Spacegroup name | P 6 |
Unit cell lengths | 90.610, 90.610, 56.800 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.310 - 1.380 |
R-factor | 0.17796 |
Rwork | 0.177 |
R-free | 0.20299 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.028 |
RMSD bond angle | 2.178 |
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] | 45.310 | 1.400 |
High resolution limit [Å] | 1.380 | 1.380 |
Rmerge | 0.040 | 0.640 |
Number of reflections | 51571 | 1712 |
<I/σ(I)> | 24 | 1.6 |
Completeness [%] | 94.4 | 63.2 |
Redundancy | 7.9 | 2.4 |
CC(1/2) | 0.990 | 0.580 |
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 |