5CL0

2009 H1N1 PA endonuclease in complex with rUMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2014-07-16
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.000
Spacegroup name	P 64 2 2
Unit cell lengths	73.946, 73.946, 128.584
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 - 2.220
R-factor	0.1938
Rwork	0.192
R-free	0.24110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ccy
RMSD bond length	0.012
RMSD bond angle	1.483
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0123)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.300
High resolution limit [Å]	2.220	4.780	2.220
Rmerge	0.098	0.035	0.981
Rmeas	0.094	0.037
Rpim	0.027	0.010	0.264
Total number of observations	153418
Number of reflections	10855
<I/σ(I)>	8.3
Completeness [%]	99.8	98.7	99.9
Redundancy	14.1	12.8	14
CC(1/2)		1.000	0.875

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	291	0.2 M magnesium chloride, 5 mM manganese chloride, 0.1 M Tris, pH 8.5, 30% w/v PEG4000