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