6YEM
H1N1 2009 PA Endonuclease in complex with Quambalarine B
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-03-06 |
Detector | DECTRIS PILATUS 300K |
Wavelength(s) | 1.54187 |
Spacegroup name | P 64 2 2 |
Unit cell lengths | 73.340, 73.340, 128.750 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.210 - 2.500 |
R-factor | 0.264 |
Rwork | 0.261 |
R-free | 0.31800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6ya5 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.248 |
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] | 45.210 | 45.210 | 2.650 |
High resolution limit [Å] | 2.500 | 7.400 | 2.500 |
Rmerge | 0.095 | 0.034 | 1.304 |
Rmeas | 0.107 | 0.038 | 1.659 |
Total number of observations | 62747 | ||
Number of reflections | 13432 | 504 | 2179 |
<I/σ(I)> | 10.41 | 36.98 | 0.62 |
Completeness [%] | 99.7 | 96.2 | 99.9 |
Redundancy | 4.671 | 4.877 | 2.595 |
CC(1/2) | 0.998 | 0.999 | 0.329 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291.15 | MDP, PEG 1000, PEG 3350, Sodium HEPES, MOPS (acid), Magnesium chloride, Calcium chloride |