3OYJ
Crystal structure of the PFV S217Q mutant intasome in complex with magnesium and the INSTI MK2048
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-06-30 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97630 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 160.170, 160.170, 123.700 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.850 - 2.680 |
R-factor | 0.2074 |
Rwork | 0.206 |
R-free | 0.24080 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3oyb |
RMSD bond length | 0.012 |
RMSD bond angle | 1.579 |
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] | 39.187 | 39.187 | 2.820 |
High resolution limit [Å] | 2.680 | 8.470 | 2.680 |
Rmerge | 0.039 | 0.894 | |
Total number of observations | 7635 | 35784 | |
Number of reflections | 45020 | ||
<I/σ(I)> | 11.2 | 39.2 | 1.6 |
Completeness [%] | 98.9 | 94.6 | 98.9 |
Redundancy | 5.5 | 5.1 | 5.5 |
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 |