6ZE9

Non-native fold of the putative VPS39 zinc finger domain

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-12-06
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.28096
Spacegroup name	P 42 2 2
Unit cell lengths	104.178, 104.178, 39.423
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.590 - 2.900
R-factor	0.2393
Rwork	0.238
R-free	0.26860
Structure solution method	MAD
RMSD bond length	0.008
RMSD bond angle	1.070
Data reduction software	xia2 (0.5.902-gffa11588-dials-1.14)
Data scaling software	xia2 (0.5.902-gffa11588-dials-1.14)
Phasing software	CRANK2 (2.0.229)
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.590	2.950
High resolution limit [Å]	2.900	2.900
Rmerge	0.075	1.178
Rmeas	0.086	1.344
Rpim	0.041	0.632
Number of reflections	5148	247
<I/σ(I)>	10.1	0.9
Completeness [%]	99.3	100
Redundancy	4.1	4.3
CC(1/2)	0.996	0.602

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	100 mM HEPES pH 7.5, 200 mM ammonium acetate, 45% (v/v) 2-methyl-2,4-pentanediol