5HGP
Hexameric HIV-1 CA in complex with hexacarboxybenzene
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2015-08-21 |
Detector | RIGAKU RAXIS HTC |
Wavelength(s) | 1.5418 |
Spacegroup name | P 6 |
Unit cell lengths | 90.759, 90.759, 56.760 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.380 - 1.950 |
R-factor | 0.195 |
Rwork | 0.194 |
R-free | 0.22060 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3h4e |
RMSD bond length | 0.008 |
RMSD bond angle | 1.281 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless (0.5.14) |
Phasing software | PHASER (2.5.7) |
Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.380 | 45.380 | 2.000 |
High resolution limit [Å] | 1.950 | 8.940 | 1.950 |
Rmerge | 0.105 | 0.043 | 0.862 |
Rpim | 0.043 | 0.017 | 0.368 |
Total number of observations | 129940 | 1366 | 8862 |
Number of reflections | 19152 | ||
<I/σ(I)> | 11.7 | 32.2 | 2.1 |
Completeness [%] | 97.9 | 89.5 | 99.5 |
Redundancy | 6.8 | 6.9 | 6.5 |
CC(1/2) | 0.997 | 0.999 | 0.644 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 290 | PEG550MME (13-14%), KSCN (0.15M), TRIS (0.1M, pH 8.5), Mellitic acid (1mM). Mellitic acid stock was adjusted to pH 8.0 with TRIS prior to setting up trays. |