2R44

CRYSTAL STRUCTURE OF A PUTATIVE ATPASE (CHU_0153) FROM CYTOPHAGA HUTCHINSONII ATCC 33406 AT 2.00 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	2007-07-01
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837, 0.97929, 0.97905
Spacegroup name	P 65
Unit cell lengths	120.780, 120.780, 51.170
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.013 - 2.000
R-factor	0.185
Rwork	0.184
R-free	0.21800
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	1.702
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.013	29.013	2.070
High resolution limit [Å]	2.000	4.300	2.000
Rmerge	0.049	0.027	0.519
Number of reflections	28915
<I/σ(I)>	13.75	32.4	2.57
Completeness [%]	99.3	98.2	95.4
Redundancy	7.35

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.54	277	NANODROP, 0.2M Sodium chloride, 50.0% PEG 200, 0.1M Na/K phosphate pH 6.54, VAPOR DIFFUSION, SITTING DROP, temperature 277K