6XHZ

Alpha-lytic protease homolog N4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2019-05-30
Detector	ADSC QUANTUM 315r
Wavelength(s)	1
Spacegroup name	P 1 21 1
Unit cell lengths	39.121, 41.695, 51.175
Unit cell angles	90.00, 98.62, 90.00

Refinement procedure

Resolution	38.680 - 1.250
R-factor	0.1713
Rwork	0.170
R-free	0.18730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3sgb
RMSD bond length	0.009
RMSD bond angle	0.956
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.700	1.270
High resolution limit [Å]	1.250	1.250
Rmerge	0.036	1.034
Rmeas	0.043	1.462
Rpim	0.023	1.034
Number of reflections	39417	625
<I/σ(I)>	14.9	0.7
Completeness [%]	86.6	27.6
Redundancy	3.4	1.5
CC(1/2)	0.999	0.278

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293.15	1.5 M Lithium sulfate monohydrate, 0.1 M BIS-TRIS propane, pH 7.0