3SQV

Crystal Structure of E. coli O157:H7 E3 ubiquitin ligase, NleL, with a human E2, UbcH7

Experimental procedure

Experimental method	SINGLE WAVELENGTH
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	2009-07-07
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97942
Spacegroup name	C 1 2 1
Unit cell lengths	302.313, 72.012, 125.669
Unit cell angles	90.00, 109.22, 90.00

Refinement procedure

Resolution	48.080 - 3.300
R-factor	0.2677
Rwork	0.266
R-free	0.29770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ENTRIES 3NB2 AND 1C4Z
RMSD bond length	0.005
RMSD bond angle	0.870
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.7_650))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.420
High resolution limit [Å]	3.300	3.300
Number of reflections	38818
<I/σ(I)>	20.3	1.9
Completeness [%]	99.0	95.2
Redundancy	4.9	4.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	298	1.5-1.7 M ammonium sulfate, 0.1 M MES, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K