4MK1
5-bromopyridine-2,3-diol bound to influenza 2009 pH1N1 endonuclease
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X25 |
Synchrotron site | NSLS |
Beamline | X25 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-04-24 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.100 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 88.932, 101.655, 66.212 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.318 - 1.850 |
R-factor | 0.1774 |
Rwork | 0.176 |
R-free | 0.19760 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.150 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHENIX (1.8.2_1309) |
Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.880 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.036 | 0.312 |
Number of reflections | 25915 | |
<I/σ(I)> | 40.565 | 4.45 |
Completeness [%] | 99.6 | 96.1 |
Redundancy | 6.1 | 4.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.7 | 293 | 200 MM MES, 27% PEG8K, 200 MM AMMONIUM SULFATE, 1 MM MANGANESE CHLORIDE, 10 MM MAGNESIUM ACETATE, 10 MM TAURINE, AND 50 MM SODIUM FLUORIDE, pH 6.7, VAPOR DIFFUSION, SITTING DROP, temperature 293K |