6YA5

2009 H1N1 PA Endonuclease in complex with LU2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-02-27
Detector	DECTRIS PILATUS 300K
Wavelength(s)	1.54187
Spacegroup name	P 64 2 2
Unit cell lengths	74.069, 74.069, 127.715
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.570 - 2.000
R-factor	0.2053
Rwork	0.202
R-free	0.26390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5cgv
RMSD bond length	0.015
RMSD bond angle	1.693
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]	42.570	42.570	2.120
High resolution limit [Å]	2.000	5.950	2.000
Rmerge	0.031	0.016	0.508
Rmeas	0.034	0.017	0.633
Total number of observations	129940
Number of reflections	24833	1008	3259
<I/σ(I)>	27.74	105.82	1.64
Completeness [%]	93.8	99.2	76.6
Redundancy	5.233	9.329	2.324
CC(1/2)	1.000	1.000	0.688

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	291.15	MPD, PEG 1000, PEG 3350, Sodium HEPES, MOPS (acid), Magnesium chloride, Calcium chloride