4M5V

Influenza 2009 H1N1 endonuclease with 100 millimolar calcium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F1
Synchrotron site	CHESS
Beamline	F1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-10-27
Detector	ADSC QUANTUM 270
Wavelength(s)	0.917
Spacegroup name	C 2 2 21
Unit cell lengths	87.495, 101.266, 65.832
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.135 - 1.800
R-factor	0.191
Rwork	0.190
R-free	0.21680
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.114
Data reduction software	HKL-2000
Data scaling software	HKL-2000
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	1.830
High resolution limit [Å]	1.800	1.800
Rmerge	0.061	0.758
Number of reflections	52229
<I/σ(I)>	21.19	1.3
Completeness [%]	99.7	98.1
Redundancy	3.6	3.1

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