1R2K

Crystal structure of MoaB from Escherichia coli

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	MPG/DESY, HAMBURG BEAMLINE BW6
Synchrotron site	MPG/DESY, HAMBURG
Beamline	BW6
Temperature [K]	100
Detector technology	CCD
Detector	MARRESEARCH
Wavelength(s)	0.9792, 0.97976, 1.2
Spacegroup name	P 3 2 1
Unit cell lengths	69.881, 69.881, 126.912
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	10.000 - 2.100
R-factor	0.208
Rwork	0.208
R-free	0.25000
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.483
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.170
High resolution limit [Å]	2.100	2.100
Number of reflections	21683
<I/σ(I)>	12.1
Completeness [%]	98.3	93.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	293	lithium sulfate, ammonium sulfate, citrate, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K