4LGJ

Crystal structure and mechanism of a type III secretion protease

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2012-02-17
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	45.091, 67.550, 81.046
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.403 - 1.550
R-factor	0.1717
Rwork	0.171
R-free	0.19420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4lgi
RMSD bond length	0.006
RMSD bond angle	1.104
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	1.610
High resolution limit [Å]	1.550	1.550
Number of reflections	69523
Completeness [%]	99.8	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	6	291	0.2 M (NH4)2SO4, 100 mM MES pH 6.0, 20% (w/v) polyethylene glycol 3,000, EVAPORATION, temperature 291K