6BH8

Crystal structure of ZMPSTE24 in complex with phosphoramidon

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-08-01
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0332
Spacegroup name	P 1 21 1
Unit cell lengths	93.329, 84.661, 132.017
Unit cell angles	90.00, 96.26, 90.00

Refinement procedure

Resolution	47.028 - 3.850
R-factor	0.3409
Rwork	0.338
R-free	0.37130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5syt
RMSD bond length	0.013
RMSD bond angle	1.154
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.030	3.990
High resolution limit [Å]	3.850	3.850
Rmerge	0.510	2.291
Rmeas	0.613	2.729
Rpim	0.335	1.468
Number of reflections	19383	187
<I/σ(I)>	2.21	0.54
Completeness [%]	97.8	97.38
Redundancy	3.2	3.3
CC(1/2)	0.761	0.326

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	Glycerol, Ammonium Sulfate, PEG 3350, Hepes/NaOH pH 7.5