6JRA

ZHD/W183F complex with hydrolyzed aZOL

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	74.514, 89.796, 112.752
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.000 - 1.800
R-factor	0.14503
Rwork	0.144
R-free	0.16644
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5c8z
RMSD bond length	0.014
RMSD bond angle	1.732
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	1.830
High resolution limit [Å]	1.800	1.800
Rmeas	0.083	0.593
Rpim	0.023	0.166
Number of reflections	70759	3449
<I/σ(I)>	32.9
Completeness [%]	99.6
Redundancy	13.3
CC(1/2)	0.981	0.929

Crystallization Conditions

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