5ZOD

Crystal Structure of hFen1 in apo form

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	40.950, 61.070, 110.450
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.431 - 1.900
R-factor	0.198
Rwork	0.197
R-free	0.22620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3q8k
RMSD bond length	0.005
RMSD bond angle	0.732
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]	29.431	29.431	1.950
High resolution limit [Å]	1.900	8.500	1.900
Rmerge	0.093	0.034	0.613
Rmeas	0.102	0.037	0.681
Number of reflections	24041	291	1645
<I/σ(I)>	13.82	35.27	2.86
Completeness [%]	99.9	96	100
Redundancy	5.896	5	5.3
CC(1/2)	0.998	0.998	0.873

Crystallization Conditions

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