5C7Y

ZHD-Intermediate complex after ZHD crystal soaking in ZEN for 9min

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	74.690, 89.670, 113.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.863 - 1.750
R-factor	0.1544
Rwork	0.153
R-free	0.18140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3wzl
RMSD bond length	0.007
RMSD bond angle	1.061
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	1.840
High resolution limit [Å]	1.750	1.750
Rmerge	0.090	0.479
Number of reflections	76939
<I/σ(I)>	14.7	4.6
Completeness [%]	99.5	99.8
Redundancy	7.1	7

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