4J94

Crystal structure of MycP1 from the ESX-1 type VII secretion system

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08B1-1
Synchrotron site	CLSI
Beamline	08B1-1
Temperature [K]	77
Detector technology	CCD
Detector	RAYONIX MX-300
Wavelength(s)	0.97895
Spacegroup name	P 21 21 21
Unit cell lengths	56.490, 77.290, 84.930
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.218 - 1.857
R-factor	0.1571
Rwork	0.155
R-free	0.19130
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.106
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER
Refinement software	PHENIX (dev_1284)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.040	47.040	2.370
High resolution limit [Å]	1.581	7.120	2.250
Rmerge		0.042	0.206
Total number of observations		3485	15874
Number of reflections	27671
<I/σ(I)>	13.4	13.5	3.6
Completeness [%]	99.9	98.6	100
Redundancy	5	4.6	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.77	293	0.1M Bis-Tris propane 0.18 M sodium thiocyanate 26% PEG 3350, pH 6.77, VAPOR DIFFUSION, SITTING DROP, temperature 293K