6YA5
2009 H1N1 PA Endonuclease in complex with LU2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-02-27 |
Detector | DECTRIS PILATUS 300K |
Wavelength(s) | 1.54187 |
Spacegroup name | P 64 2 2 |
Unit cell lengths | 74.069, 74.069, 127.715 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 42.570 - 2.000 |
R-factor | 0.2053 |
Rwork | 0.202 |
R-free | 0.26390 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5cgv |
RMSD bond length | 0.015 |
RMSD bond angle | 1.693 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 42.570 | 42.570 | 2.120 |
High resolution limit [Å] | 2.000 | 5.950 | 2.000 |
Rmerge | 0.031 | 0.016 | 0.508 |
Rmeas | 0.034 | 0.017 | 0.633 |
Total number of observations | 129940 | ||
Number of reflections | 24833 | 1008 | 3259 |
<I/σ(I)> | 27.74 | 105.82 | 1.64 |
Completeness [%] | 93.8 | 99.2 | 76.6 |
Redundancy | 5.233 | 9.329 | 2.324 |
CC(1/2) | 1.000 | 1.000 | 0.688 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291.15 | MPD, PEG 1000, PEG 3350, Sodium HEPES, MOPS (acid), Magnesium chloride, Calcium chloride |