2OU6

Crystal structure of a putative metalloenzyme of the duf664 family (dr_1065) from deinococcus radiodurans at 1.80 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-02-01
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97905, 0.97932, 0.91837
Spacegroup name	P 65 2 2
Unit cell lengths	57.933, 57.933, 250.773
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	125.000 - 1.800
R-factor	0.157
Rwork	0.155
R-free	0.18800
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.548
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHELX
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	125.000	125.430	1.850
High resolution limit [Å]	1.800	8.050	1.800
Rmerge	0.070	0.058	0.268
Total number of observations		3843	2678
Number of reflections	22207
<I/σ(I)>	7.1	10.2	2.5
Completeness [%]	91.1	98.3	61.4
Redundancy	6.9	10.3	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	277	NANODROP, 1.6M (NH4)2SO4, 0.1M MES pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K