7LU3

X-ray radiation damage series on Proteinase K at 100K, crystal structure, dataset 7

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.88557
Spacegroup name	P 43 21 2
Unit cell lengths	67.732, 67.732, 101.660
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.870 - 1.160
R-factor	0.1424
Rwork	0.141
R-free	0.17210
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7ltd
RMSD bond length	0.007
RMSD bond angle	0.890
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.860	1.180
High resolution limit [Å]	1.160	1.160
Rmerge	0.061	2.815
Rpim	0.022	1.033
Number of reflections	82307	3943
<I/σ(I)>	12.7	0.7
Completeness [%]	99.9	98
Redundancy	8.5	8.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	Proteinase K was dissolved in 10 mM Calcium Chloride, 50 mM Tris pH 7.5 at a final concentration of 30 mg/ml. 1-2 microliters of this protein solution was mixed with an equivalent volume of precipitant solution (0.5 M Sodium Nitrate).