4EDI

Disulfide bonded EutL from Clostridium perfringens

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	CCD
Collection date	2010-07-25
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97949
Spacegroup name	P 43 21 2
Unit cell lengths	86.747, 86.747, 251.681
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.595 - 1.998
R-factor	0.1715
Rwork	0.170
R-free	0.19300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3i82
RMSD bond length	0.007
RMSD bond angle	1.058
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.1.4)
Refinement software	PHENIX (1.7.3_928)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.000	100.000	2.070
High resolution limit [Å]	1.998	4.310	1.998
Rmerge	0.053	0.034	0.218
Number of reflections	65257
<I/σ(I)>	18.2
Completeness [%]	98.6	93	99.4
Redundancy	4	3.7	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	5% PEG8000, 8% ethylene glycol, 0.1 M HEPES, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K