5DUD

Crystal structure of E. coli YbgJK

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2008-04-13
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	66.110, 88.780, 83.700
Unit cell angles	90.00, 101.91, 90.00

Refinement procedure

Resolution	15.000 - 2.800
R-factor	0.2685
Rwork	0.268
R-free	0.28760
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3mml
RMSD bond length	0.008
RMSD bond angle	0.950
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	MR-Rosetta
Refinement software	BUSTER (2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	15.000		2.880
High resolution limit [Å]	2.800	12.540	2.800
Rmerge	0.080	0.029	0.478
Rmeas		0.034	0.557
Number of reflections	23159	277	1714
<I/σ(I)>	14.43	36.46	2.66
Completeness [%]	98.9	97.9	97.4
Redundancy	3.67		3.77

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	Reservoir solution: 0.1 M Bicine, pH 8.5, 20% PEG 6000. Protein storage buffer: 20 mM Tris-pH 8.0, 300 mM NaCl, 10% glycerol. Additives: TCEP, malonamide.