4KWY

Crystal structure of a putative lipoprotein (CC_3750) from Caulobacter crescentus CB15 at 2.40 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	PIXEL
Collection date	2013-05-02
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97805, 0.91837, 0.97871
Spacegroup name	C 2 2 21
Unit cell lengths	88.442, 136.351, 60.211
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.754 - 2.400
R-factor	0.1942
Rwork	0.192
R-free	0.24120
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.060
Data reduction software	XDS
Data scaling software	XSCALE (July 4, 2012)
Phasing software	SHELX
Refinement software	BUSTER-TNT (2.10.0)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.754		2.460
High resolution limit [Å]	2.400	10.730	2.400
Rmerge	0.095	0.027	0.908
Number of reflections	14362	198	1056
<I/σ(I)>	12.2	37.2	1.8
Completeness [%]	98.1	98.5	98.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.17M potassium dihydrogen phosphate, 20% polyethylene glycol 3350, 0.01M trimethylamine HCl, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K