5SYT

Crystal Structure of ZMPSTE24

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	2016-06-27
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.979
Spacegroup name	C 1 2 1
Unit cell lengths	149.455, 84.560, 76.885
Unit cell angles	90.00, 119.07, 90.00

Refinement procedure

Resolution	33.601 - 2.000
R-factor	0.2191
Rwork	0.218
R-free	0.24900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4aw6
RMSD bond length	0.012
RMSD bond angle	1.331
Data reduction software	MOSFLM (7.21)
Data scaling software	Aimless (0.5.9)
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	33.601	33.600	2.050
High resolution limit [Å]	2.000	8.940	2.000
Rmerge	0.439	0.122	3.495
Number of reflections	56449
<I/σ(I)>	6.7		1.6
Completeness [%]	99.6	94.2	97.8
Redundancy	14.7	15	14.8
CC(1/2)	0.993	0.996	0.574

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	286	24% PEG3350, 170 mM ammonium sulfate, 15% glycerol, 50 mM HEPES, pH 7.5