6Q8S

Elastase (PPE) under 2 kbar of argon

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-07-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.77
Spacegroup name	P 21 21 21
Unit cell lengths	49.839, 58.215, 74.256
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.810 - 1.800
R-factor	0.14779
Rwork	0.145
R-free	0.19970
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.011
RMSD bond angle	1.421
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	FFT
Refinement software	REFMAC (5.8.0222)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.210	1.740
High resolution limit [Å]	1.700	1.700
Rmerge	0.073	0.090
Rmeas	0.081	0.109
Rpim	0.031	0.076
Number of reflections	21185	384
<I/σ(I)>	26.2
Completeness [%]	86.8	22.2
Redundancy	10.5	3
CC(1/2)	0.997	0.980

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	BATCH MODE	5.5	298	20 MICROLITER OF PROTEIN (20 mg/ML) BUFFER ACETATE 0.05M + 2 MICROLITER SODIUM SULFATE SATURATED.