5ZOE

Crystal Structure of D181A hFen1 in complex with DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	95
Detector technology	CCD
Collection date	2016-12-04
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	48.070, 93.830, 103.020
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.836 - 1.950
R-factor	0.2156
Rwork	0.215
R-free	0.22710
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3q8k
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	24.836	24.836	2.010
High resolution limit [Å]	1.950	8.760	1.960
Rmerge	0.033	0.021	0.370
Rmeas	0.037	0.024	0.439
Number of reflections	33596	203	2183
<I/σ(I)>	23.73	43.04	2.86
Completeness [%]	98.0	45.1	87.8
Redundancy	4.608	3.576	3.11
CC(1/2)	0.999	0.999	0.899

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.8	298	PEG 3350, MgCl2, Tris, KCl