4M5Q

High-resolution apo influenza 2009 H1N1 endonuclease structure

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	88.400, 101.490, 66.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.900 - 1.534
R-factor	0.1709
Rwork	0.171
R-free	0.18390
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.399
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]	50.750	1.620
High resolution limit [Å]	1.530	1.530
Rmerge	0.041	0.369
Number of reflections	250493
<I/σ(I)>	16.2	3.2
Completeness [%]	98.0	97.7
Redundancy	5.6	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