3C8E

Crystal Structure Analysis of yghU from E. Coli

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2006-06-22
Detector	MAR
Wavelength(s)	1.00, 0.9795, 0.9790, 0.9500
Spacegroup name	P 21 21 21
Unit cell lengths	58.197, 73.455, 130.810
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 1.500
R-factor	0.165
Rwork	0.162
R-free	0.19700
Structure solution method	MAD
RMSD bond length	0.019
RMSD bond angle	1.834
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHELX
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.460
High resolution limit [Å]	1.410	3.040	1.410
Rmerge	0.109	0.055	0.653
Number of reflections	95609
<I/σ(I)>	7.1
Completeness [%]	87.7	99.6	56.5
Redundancy	8.7	13.1	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	298	0.1M Bis-Tris pH 5.5, 0.2M NaCl, 25% w/v PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 298K