5ZOF

Crystal Structure of D181A/R192F 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)	1.00
Spacegroup name	P 21 21 21
Unit cell lengths	47.670, 92.730, 102.780
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.820 - 2.249
R-factor	0.237
Rwork	0.235
R-free	0.26880
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]	27.820	27.820	2.310
High resolution limit [Å]	2.240	10.060	2.250
Rmerge	0.091	0.069	0.579
Rmeas	0.101	0.077	0.673
Number of reflections	22092	263	1535
<I/σ(I)>	11.12	19.18	2.15
Completeness [%]	98.8	87.4	93.1
Redundancy	5.74	4.859	3.762
CC(1/2)	0.994	0.990	0.738

Crystallization Conditions

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