2YF3

Crystal structure of DR2231, the MazG-like protein from Deinococcus radiodurans, complex with manganese

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2009-07-09
Detector	MARMOSAIC 225 mm CCD
Spacegroup name	P 21 21 21
Unit cell lengths	68.109, 111.402, 166.539
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.120 - 2.000
R-factor	0.19374
Rwork	0.191
R-free	0.23834
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2yeu
RMSD bond length	0.020
RMSD bond angle	1.525
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.110
High resolution limit [Å]	2.000	2.000
Rmerge	0.070	0.370
Number of reflections	86122
<I/σ(I)>	15	6.8
Completeness [%]	99.8	100
Redundancy	4	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1				0.01M MAGNESIUM CHLORIDE, 0.05M SODIUM CACODYLATE, PH 6.0, 1M LITHIUM SULFATE. OVERNIGHT SOAK IN 250MM LITHIUM SULFATE / 750MM MANGANESE SULFATE.