5CGV
2009 H1N1 PA endonuclease in complex with L-742,001
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-BM |
Synchrotron site | APS |
Beamline | 22-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-06-11 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.0 |
Spacegroup name | P 64 2 2 |
Unit cell lengths | 73.899, 73.899, 127.457 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.000 - 2.170 |
R-factor | 0.20242 |
Rwork | 0.199 |
R-free | 0.28166 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4e5e |
RMSD bond length | 0.022 |
RMSD bond angle | 2.108 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0123) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.250 |
High resolution limit [Å] | 2.170 | 4.670 | 2.170 |
Rmerge | 0.128 | 0.048 | 0.893 |
Rmeas | 0.133 | 0.050 | 0.952 |
Rpim | 0.037 | 0.014 | 0.319 |
Total number of observations | 146974 | ||
Number of reflections | 11511 | ||
<I/σ(I)> | 6.6 | ||
Completeness [%] | 99.8 | 99.9 | 98.3 |
Redundancy | 12.8 | 12.1 | 8.1 |
CC(1/2) | 0.999 | 0.763 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 291 | 0.2 M MgCl2, 5mM MnCl2, 0.1 M Tris pH 8.5, 30%(w/v) PEG 4000 |