1JWB

Structure of the Covalent Acyl-Adenylate Form of the MoeB-MoaD Protein Complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X26C
Synchrotron site	NSLS
Beamline	X26C
Temperature [K]	100
Detector technology	CCD
Collection date	2000-08-14
Detector	ADSC QUANTUM 4
Wavelength(s)	1.1
Spacegroup name	P 41 21 2
Unit cell lengths	77.230, 77.230, 100.545
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.100
R-factor	0.188 *
Rwork	0.188
R-free	0.22494
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.020
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.180
High resolution limit [Å]	2.100	2.100
Rmerge	0.086	0.414
Number of reflections	18549
<I/σ(I)>	8.6	1.3
Completeness [%]	98.7	98.1
Redundancy	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	4 *	Lithium Sulfate, HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	MoeB	23 (mg/ml)
2	1	drop	MoaD	10 (mg/ml)
3	1	reservoir		1.7 (M)
4	1	reservoir	HEPES	100 (mM)