5C8X

ZHD-Intermediate complex after ZHD crystal soaking in ZEN for 20min

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2015-01-04
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97923
Spacegroup name	P 21 21 21
Unit cell lengths	74.580, 89.030, 113.130
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.744 - 1.800
R-factor	0.1511
Rwork	0.150
R-free	0.16840
RMSD bond length	0.007
RMSD bond angle	1.072
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.900
High resolution limit [Å]	1.800	1.800
Rmerge	0.094	0.419
Number of reflections	70514
<I/σ(I)>	20.3	7.5
Completeness [%]	100.0	100
Redundancy	14.1	14.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	293	1.2 M ammonium dibasic phosphate, 200 mM KCl, 100 mM imidazole