1Y0G

CRYSTAL STRUCTURE OF THE ESCHERICHIA COLI YCEI PROTEIN, STRUCTURAL GENOMICS

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X9A
Synchrotron site	NSLS
Beamline	X9A
Temperature [K]	83
Detector technology	AREA DETECTOR
Collection date	2003-10-20
Detector	MARRESEARCH
Wavelength(s)	0.9864
Spacegroup name	C 1 2 1
Unit cell lengths	188.170, 41.930, 130.250
Unit cell angles	90.00, 126.33, 90.00

Refinement procedure

Resolution	20.000 - 2.200
R-factor	0.228
Rwork	0.228
R-free	0.24800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1fu6
RMSD bond length	0.008
RMSD bond angle	1.500
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	BRUTE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.280
High resolution limit [Å]	2.200	2.200
Rmerge	0.059	0.374
Number of reflections	42065
<I/σ(I)>	9	3.1
Completeness [%]	99.6	96.6
Redundancy	8.1	5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	290	PEG8000, 0.1M SODIUM CACODYLATE, pH 6.50, VAPOR DIFFUSION, temperature 290K