6BMN

Structure of human DHHC20 palmitoyltransferase, space group P63

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-11-05
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.979100
Spacegroup name	P 63
Unit cell lengths	99.541, 99.541, 158.386
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	86.205 - 2.250
R-factor	0.258
Rwork	0.257
R-free	0.27790
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.480
Data reduction software	XDS
Data scaling software	Aimless (0.5.23)
Phasing software	PHASER (2.7.15)
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	86.210	86.210	2.320
High resolution limit [Å]	2.250	9.000	2.250
Rmerge	0.080	0.027	4.776
Rmeas	0.089	0.030	5.327
Rpim	0.039	0.013	2.325
Total number of observations	216086
Number of reflections	41855	659	3867
<I/σ(I)>	12.3
Completeness [%]	99.4	97.5	99.7
Redundancy	5.2	4.9	5.2
CC(1/2)	0.999	0.999	0.439

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE		293	50mM MES, pH5.8, 50mM KH2PO4, 27.7% PEG 300, 25mM DTT, 1.25% 2,5-Hexanediol after 3.5 months.