2QDR

Crystal structure of a putative dioxygenase (npun_f5605) from nostoc punctiforme pcc 73102 at 2.60 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	2007-04-07
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837, 0.97916, 0.97883
Spacegroup name	P 62 2 2
Unit cell lengths	102.096, 102.096, 250.807
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.298 - 2.600
R-factor	0.242
Rwork	0.240
R-free	0.28600
Structure solution method	MAD
RMSD bond length	0.013
RMSD bond angle	1.824
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.298	47.298	2.690
High resolution limit [Å]	2.600	5.570	2.600
Rmerge	0.127	0.012	0.012
Number of reflections	24629	4602	4326
<I/σ(I)>	10.68	30.1	1.6
Completeness [%]	99.6	99.7	98.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.33	293	NANODROP, 21.4% Ethanol, 0.2M Magnesium chloride, 0.1M HEPES pH 7.33, VAPOR DIFFUSION, SITTING DROP, temperature 293K