3D7I

Crystal structure of carboxymuconolactone decarboxylase family protein possibly involved in oxygen detoxification (1591455) from METHANOCOCCUS JANNASCHII at 1.75 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2008-05-01
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91162,0.97929,0.97907
Spacegroup name	C 2 2 21
Unit cell lengths	73.571, 92.672, 111.237
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.952 - 1.750
R-factor	0.172
Rwork	0.170
R-free	0.19700
Structure solution method	MAD
RMSD bond length	0.018
RMSD bond angle	1.434
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.952	28.950	1.800
High resolution limit [Å]	1.750	7.830	1.750
Rmerge	0.078	0.064	0.535
Total number of observations		1971	14030
Number of reflections	38442
<I/σ(I)>	4.8	8.5	1.4
Completeness [%]	99.5	96.2	98.9
Redundancy	4.9	4.2	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	3.7	277	0.2M ammonium sulfate, 17.8% polyethylene glycol 300, 10.0% Glycerol, 0.1M phosphate-citrate pH 3.7, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K