4ZAR

Crystal Structure of Proteinase K from Engyodontium albuminhibited by METHOXYSUCCINYL-ALA-ALA-PRO-PHE-CHLOROMETHYL KETONE at 1.15 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-04-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979200
Spacegroup name	P 43 21 2
Unit cell lengths	67.850, 67.850, 102.510
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	56.580 - 1.150
R-factor	0.1124
Rwork	0.110
R-free	0.13450
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	3prk
RMSD bond length	0.026
RMSD bond angle	1.766
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	REFMAC
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	56.600		1.180
High resolution limit [Å]	1.150	5.140	1.150
Rmerge	0.067	0.044	0.591
Rmeas	0.070	0.046	0.630
Total number of observations	1014404
Number of reflections	82922	1105	4619
<I/σ(I)>	18.82	45.72	3.26
Completeness [%]	97.2	99.6	74.4
Redundancy	12.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	277	Ammonium Sulfate , Tris HCL, calcium chloride