4IT3

Crystal Structure of Iml3 from S. cerevisiae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	77
Detector technology	CCD
Collection date	2012-02-19
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97919
Spacegroup name	P 63 2 2
Unit cell lengths	73.135, 73.135, 189.133
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.889 - 2.495
R-factor	0.2269
Rwork	0.224
R-free	0.25560
Structure solution method	SAD
RMSD bond length	0.004
RMSD bond angle	0.808
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	37.889	37.889	2.540
High resolution limit [Å]	2.494	6.780	2.494
Rmerge	0.103	0.061	0.876
Number of reflections	11048
<I/σ(I)>	10.2
Completeness [%]	99.5	96.6	99.4
Redundancy	12.7	9.2	13.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	291	3.75 M sodium formate, 4% 2,5-diaminopentane, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K