3S3O
Crystal structure of the Prototype Foamy Virus (PFV) N224H mutant intasome in complex with magnesium and Dolutegravir (S/GSK1349572)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-10-28 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97630 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 160.440, 160.440, 123.030 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.140 - 2.550 |
R-factor | 0.2095 |
Rwork | 0.208 |
R-free | 0.23010 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3oyn |
RMSD bond length | 0.011 |
RMSD bond angle | 1.524 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.16) |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 39.141 | 39.141 | 2.690 |
High resolution limit [Å] | 2.550 | 8.060 | 2.550 |
Rmerge | 0.038 | 0.955 | |
Total number of observations | 13764 | 48534 | |
Number of reflections | 52365 | ||
<I/σ(I)> | 2 | 14 | 0.8 |
Completeness [%] | 99.2 | 95.9 | 95.5 |
Redundancy | 8.6 | 7.8 | 6.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 1.35 M ammonium sulfate, 25% (v/v) glycerol, 4.8% (v/v) 1,6-hexanediol, 50 mM Mes-NaOH, 1mM EDTA, pH 6.5, vapor diffusion, hanging drop, temperature 291K |