6YZE

Zinc metalloprotease ProA from native source

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	CCD
Collection date	2017-10-18
Detector	RIGAKU SATURN 944+
Wavelength(s)	1.5419
Spacegroup name	P 21 21 21
Unit cell lengths	40.633, 54.604, 134.519
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.900 - 2.180
R-factor	0.208
Rwork	0.205
R-free	0.26590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3nqx
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (1.18rc4)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.590	50.590	2.290
High resolution limit [Å]	2.180	6.880	2.180
Rmerge	0.138	0.048	0.528
Rmeas	0.153	0.054	0.603
Rpim	0.066	0.023	0.283
Total number of observations	82983	2986	8129
Number of reflections	16137	591	2106
<I/σ(I)>	9.7	21.6	2.5
Completeness [%]	98.5	98.4	91.4
Redundancy	5.1	5.1	3.9
CC(1/2)	0.993	0.998	0.800

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	293	16 mg/ml native ProA 1 M sodium acetate pH 4.5 and 1.2 M tri-sodium citrate