7LTD

X-ray radiation damage series on Proteinase K at 100K, crystal structure, dataset 1

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	67.721, 67.721, 101.423
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.860 - 0.900
R-factor	0.1582
Rwork	0.157
R-free	0.17200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7ln7
RMSD bond length	0.005
RMSD bond angle	0.899
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]	34.820	0.920
High resolution limit [Å]	0.900	0.900
Rmerge	0.076	0.716
Rpim	0.029	0.519
Number of reflections	173186	7909
<I/σ(I)>	10.3	1
Completeness [%]	99.6	93
Redundancy	6.9	2.2

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).