7LQA

X-ray radiation damage series on Proteinase K at 277K, multi-conformer model, dataset 2 (merged)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	277
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	67.778, 67.778, 101.763
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.890 - 1.020
R-factor	0.1108
Rwork	0.110
R-free	0.12680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7ln7
RMSD bond length	0.007
RMSD bond angle	0.958
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]	34.890	1.040
High resolution limit [Å]	1.020	1.020
Rmerge	0.133	3.410
Rpim	0.025	0.792
Number of reflections	120670	5868
<I/σ(I)>	14.4	1.2
Completeness [%]	100.0	100
Redundancy	27.2	19

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 (1.0 M Ammonium Sulfate).