7D5Y

Cystein protease domain from MARTX toxin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2017-08-03
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97940
Spacegroup name	P 41 3 2
Unit cell lengths	125.307, 125.307, 125.307
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.750 - 2.200
R-factor	0.188
Rwork	0.185
R-free	0.21700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3eeb
RMSD bond length	0.003
RMSD bond angle	0.698
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.240
High resolution limit [Å]	2.200	2.200
Rmerge	0.117	0.427
Number of reflections	17586	1720
<I/σ(I)>	103.69
Completeness [%]	100.0
Redundancy	41.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	295	1.0 M potassium sodium tartrate 0.1 M MES:NaOH (pH 6.0)