3NAW

Crystal structure of E. coli O157:H7 effector protein NleL

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2009-03-28
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0115, 0.9794, 0.9796, 0.9494
Spacegroup name	C 1 2 1
Unit cell lengths	313.672, 77.310, 61.508
Unit cell angles	90.00, 94.54, 90.00

Refinement procedure

Resolution	47.047 - 2.500
R-factor	0.1872
Rwork	0.184
R-free	0.24650
Structure solution method	MAD
RMSD bond length	0.009
RMSD bond angle	1.078
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	PHENIX ((phenix.refine: 1.5_2))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.590
High resolution limit [Å]	2.500	2.500
Number of reflections	50366
<I/σ(I)>	12.6	3.8
Completeness [%]	98.7	97.4
Redundancy	7.6	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	0.1M MES, 1.6M LiSO4 or MgSO4, VAPOR DIFFUSION, SITTING DROP, temperature 293K