6RUW

Zn-substituted alpha-Keggin bound to Proteinase K solved by MR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	BRUKER D8 QUEST
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-04-10
Detector	Bruker PHOTON II
Wavelength(s)	1.542
Spacegroup name	P 43 21 2
Unit cell lengths	67.920, 67.920, 102.140
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.040 - 1.350
R-factor	0.1497
Rwork	0.148
R-free	0.18060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ic6
RMSD bond length	0.005
RMSD bond angle	0.805
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.040	1.398
High resolution limit [Å]	1.350	1.350
Rmerge	0.036
Rpim	0.016
Number of reflections	92760	8059
<I/σ(I)>	27.53
Completeness [%]	92.5
Redundancy	5.1
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293	100 mM sodium acetate (pH 5.5), 0.7-1.2 M ammonium sulphate, 2.5 mM Zn-substituted alpha-Keggin