4HVL

Structure of a serine protease MycP1, an essential component of the type VII (ESX-1) secretion system

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2012-06-11
Detector	MAR scanner 300 mm plate
Wavelength(s)	1.00
Spacegroup name	P 21 21 21
Unit cell lengths	61.950, 73.080, 75.420
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.920 - 2.000
R-factor	0.1709
Rwork	0.169
R-free	0.20640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1thm
RMSD bond length	0.010
RMSD bond angle	1.310
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	BALBES
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.920		2.050
High resolution limit [Å]	2.000	8.950	2.000
Rmerge	0.104	0.022	0.633
Number of reflections	44283	496	3006
<I/σ(I)>	11.41	43.9	1.39
Completeness [%]	99.2	99.2	91.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	295	0.2M ZINC ACETATE, 0.1M IMIDAZOLE, 25% 1,2-PROPANEDIOL, 10% GLYCEROL, pH 8.0, vapor diffusion, hanging drop, temperature 295K
1	VAPOR DIFFUSION, HANGING DROP	8	295	0.2M ZINC ACETATE, 0.1M IMIDAZOLE, 25% 1,2-PROPANEDIOL, 10% GLYCEROL, pH 8.0, vapor diffusion, hanging drop, temperature 295K