6IY4

Crystal structure of a psychrophilic marine protease MP inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2017-06-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97915
Spacegroup name	P 21 21 21
Unit cell lengths	34.036, 39.281, 62.571
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.310 - 1.590
R-factor	0.2102
Rwork	0.210
R-free	0.21800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6ixx
RMSD bond length	0.013
RMSD bond angle	1.739
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.640
High resolution limit [Å]	1.590	1.590
Rmerge	0.213	0.654
Rpim	0.088	0.277
Number of reflections	11707	5628
<I/σ(I)>	11
Completeness [%]	99.7
Redundancy	5.4
CC(1/2)	0.991	0.869

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	6.5	293	0.1M NaCl, 0.1M BIS-TRIS pH 6.5, 1.5M (NH4)2SO4