6JRD

ZHD complex with hydrolyzed beta-ZOL

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-05-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97776
Spacegroup name	P 21 21 21
Unit cell lengths	74.536, 89.969, 112.728
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.000 - 1.650
R-factor	0.139
Rwork	0.138
R-free	0.16100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5c8z
RMSD bond length	0.015
RMSD bond angle	1.828
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.680
High resolution limit [Å]	1.650	1.650
Rmerge	0.088	0.503
Rmeas	0.092	0.523
Rpim	0.025	0.140
Number of reflections	91529	4495
<I/σ(I)>	36	4.54
Completeness [%]	100.0	100
Redundancy	13.3
CC(1/2)	0.988	0.953

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	ammonium phosphate, imidazole, potassium chloride