2PYQ

Crystal structure of a duf2853 member protein (jann_4075) from jannaschia sp. ccs1 at 1.500 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	2007-04-08
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837, 0.97910, 0.97886
Spacegroup name	P 1 21 1
Unit cell lengths	32.920, 98.710, 58.560
Unit cell angles	90.00, 90.39, 90.00

Refinement procedure

Resolution	28.689 - 1.500
R-factor	0.176
Rwork	0.176
R-free	0.19500
Structure solution method	MAD
RMSD bond length	0.013
RMSD bond angle	1.125
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.689		1.550
High resolution limit [Å]	1.500	3.230	1.500
Rmerge	0.052	0.035	0.468
Number of reflections	59568	11458	9813
<I/σ(I)>	7.77	17.8	1.9
Completeness [%]	97.4	95.7	88.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	NANODROP, 30.0% PEG 6000, 0.1M HEPES pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K