8YJC

Structure of Vibrio vulnificus MARTX cysteine protease domain C3727A

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]	100
Detector technology	CCD
Collection date	2020-08-04
Detector	ADSC QUANTUM 270
Wavelength(s)	0.9795
Spacegroup name	C 1 2 1
Unit cell lengths	88.060, 69.816, 40.041
Unit cell angles	90.00, 107.69, 90.00

Refinement procedure

Resolution	24.730 - 1.300
R-factor	0.1706
Rwork	0.170
R-free	0.18920
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.958
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	1.320
High resolution limit [Å]	1.300	1.300
Rmerge	0.052	0.263
Number of reflections	54914	2163
<I/σ(I)>	46.8	7.5
Completeness [%]	97.1	76.4
Redundancy	4.9	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	298	0.1 M HEPES pH 9.0, 30% PEG 8000