6B2I
E45A mutant of the HIV-1 capsid protein
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-03-27 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.033200 |
Spacegroup name | P 6 |
Unit cell lengths | 87.608, 87.608, 56.474 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 34.612 - 2.500 |
R-factor | 0.2047 |
Rwork | 0.202 |
R-free | 0.24970 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4xfx |
RMSD bond length | 0.002 |
RMSD bond angle | 0.443 |
Data scaling software | Aimless (0.5.27) |
Phasing software | PHASER (2.6.1) |
Refinement software | PHENIX (1.10.1) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 37.940 | 37.940 | 2.600 |
High resolution limit [Å] | 2.500 | 9.010 | 2.500 |
Rmerge | 0.144 | 0.043 | 0.807 |
Rmeas | 0.162 | 0.049 | 0.916 |
Rpim | 0.073 | 0.023 | 0.428 |
Total number of observations | 41810 | 870 | 4139 |
Number of reflections | 8647 | 197 | 942 |
<I/σ(I)> | 9.1 | 25.7 | 2 |
Completeness [%] | 99.3 | 97.5 | 95.9 |
Redundancy | 4.8 | 4.4 | 4.4 |
CC(1/2) | 0.992 | 0.998 | 0.643 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | PEG3350, NaI, Sodium cacodylate, Glycerol |