8YJA

Structure of Vibrio vulnificus MARTX cysteine protease domain lacking beta-flap

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 7A (6B, 6C1)
Synchrotron site	PAL/PLS
Beamline	7A (6B, 6C1)
Temperature [K]	110
Detector technology	CCD
Collection date	2020-08-04
Detector	ADSC QUANTUM 270
Wavelength(s)	0.9795
Spacegroup name	P 41 21 2
Unit cell lengths	77.321, 77.321, 118.816
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.400 - 2.200
R-factor	0.2141
Rwork	0.207
R-free	0.27700
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.871
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.240
High resolution limit [Å]	2.200	2.200
Rmerge	0.101	0.541
Number of reflections	18979	918
<I/σ(I)>	43.7	7.6
Completeness [%]	99.7	99.9
Redundancy	11.6	12

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	298	.1 M sodium acetate pH 4.0, 25% PEG 3350, 0.2 M ammonium acetate, and 2.5% ethylene glycol