3DLR
Crystal structure of the catalytic core domain from PFV integrase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-01-26 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.95373 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 52.140, 52.140, 239.780 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.180 - 2.200 |
R-factor | 0.21394 |
Rwork | 0.209 |
R-free | 0.25922 |
Structure solution method | SAD |
Starting model (for MR) | 1cxu |
RMSD bond length | 0.010 |
RMSD bond angle | 1.122 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | SHARP |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.180 | 2.320 |
High resolution limit [Å] | 2.200 | 2.200 |
Number of reflections | 10584 | |
<I/σ(I)> | 17.4 | 3.4 |
Completeness [%] | 99.5 | 99.3 |
Redundancy | 8.9 | 9.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 1.0 M ammonium formate, 0.2 M magnesium cloride, 5 mM dithiotreitol, 0.1 M 2-(N-morpholino)ethanesulfonic acid, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 1.0 M ammonium formate, 0.2 M magnesium cloride, 5 mM dithiotreitol, 0.1 M 2-(N-morpholino)ethanesulfonic acid, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |