5HP4

Crystal structure bacteriohage T5 D15 flap endonuclease (D155K) pseudo-enzyme-product complex with DNA and metal ions

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	CCD
Collection date	2011-07-12
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9796
Spacegroup name	P 43 21 2
Unit cell lengths	67.510, 67.510, 187.810
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.810 - 1.860
R-factor	0.1595
Rwork	0.158
R-free	0.18830
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5hml
RMSD bond length	0.010
RMSD bond angle	1.371
Data reduction software	xia2
Data scaling software	SCALA (3.3.16)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	67.510	67.510	1.910
High resolution limit [Å]	1.861	8.320	1.860
Rmerge		0.044	1.043
Rmeas	0.083
Rpim	0.016	0.011	0.198
Total number of observations	1047650	8573	78323
Number of reflections	37488
<I/σ(I)>	30.8	51.1	6.4
Completeness [%]	99.8	95.2	99.7
Redundancy	27.9	17.2	28.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	290	Oligonucleotides was adjusted to 1.1 mM for the duplex molecule by dissolving each one in 10 mM MES pH 6.5 and 50 mM KCl. T5FenD155K with oligonucleotide 3ov6 prepared above, grew in 0.2 M CaCl2, 0.1 M sodium acetate buffer pH 5, 20% w/v PEG 6000.