6RZP

Multicrystal structure of Proteinase K at room temperature using a multilayer monochromator.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE VMXi
Synchrotron site	Diamond
Beamline	VMXi
Temperature [K]	293
Detector technology	PIXEL
Collection date	2019-02-01
Detector	DECTRIS EIGER2 X 4M
Wavelength(s)	0.979
Spacegroup name	P 43 21 2
Unit cell lengths	68.368, 68.368, 103.978
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.126 - 2.200
R-factor	0.111
Rwork	0.105
R-free	0.16110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2id8
RMSD bond length	0.009
RMSD bond angle	0.895
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.130	2.240
High resolution limit [Å]	2.200	2.200
Rmerge	0.064	0.132
Rmeas	0.066	0.143
Rpim	0.017	0.052
Number of reflections	13162	631
<I/σ(I)>	30.5	12.2
Completeness [%]	100.0	100
Redundancy	14.7	7.1
CC(1/2)	0.999	0.986

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	1.2M Ammonium Sulfate, 0.1M Na Cacodylate pH 6.2, 25 % Glycerol