6IK4

A Novel M23 Metalloprotease Pseudoalterin from Deep-sea

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2018-10-01
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9791
Spacegroup name	C 2 2 21
Unit cell lengths	62.841, 82.443, 73.419
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.314 - 1.900
R-factor	0.1499
Rwork	0.149
R-free	0.17160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3it5
RMSD bond length	0.006
RMSD bond angle	0.901
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.10.1_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.968
High resolution limit [Å]	1.900	1.900
Rmerge	0.107
Rpim		0.170
Number of reflections	15332	1484
<I/σ(I)>	29.49
Completeness [%]	99.9
Redundancy	7.1
CC(1/2)		0.945

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	0.1M Bis-Tris (pH 7.1), 0.6M magnesium formate dehydrate