4U0E
Hexameric HIV-1 CA in complex with PF3450074
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 | 2013-10-30 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 6 |
Unit cell lengths | 91.210, 91.210, 56.340 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 78.990 - 2.043 |
R-factor | 0.1999 |
Rwork | 0.198 |
R-free | 0.23940 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3h47 |
RMSD bond length | 0.005 |
RMSD bond angle | 0.924 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA (3.3.21) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 78.990 | 45.868 | 2.140 |
High resolution limit [Å] | 2.043 | 6.430 | 2.030 |
Rmerge | 0.046 | 0.843 | |
Rmeas | 0.203 | ||
Rpim | 0.083 | 0.020 | 0.387 |
Total number of observations | 101377 | 3353 | 12173 |
Number of reflections | 17035 | ||
<I/σ(I)> | 7.7 | 24.1 | 2 |
Completeness [%] | 98.1 | 99.7 | 87 |
Redundancy | 6 | 5.8 | 5.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 290 | 0.2 M magnesium chloride, 8% w/v PEG 20K, 8% v/v PEG 550 MME, 0.1 M TRIS pH 8.5, 3% w/v 1,5-diaminopentane dihydrochloride |