4Q98

Crystal structure of a fimbrilin (fimA) from Porphyromonas gingivalis W83 at 1.30 A resolution (PSI Community Target, Nakayama)

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	2014-01-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.91837,0.97849
Spacegroup name	P 1 21 1
Unit cell lengths	36.398, 67.641, 65.576
Unit cell angles	90.00, 90.47, 90.00

Refinement procedure

Resolution	47.082 - 1.300
R-factor	0.1205
Rwork	0.119
R-free	0.15610
Structure solution method	MAD
RMSD bond length	0.012
RMSD bond angle	1.440
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.8.0069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.082	47.082	1.370
High resolution limit [Å]	1.300	2.840	1.300
Rmerge	0.044	0.023	0.436
Number of reflections	73835	7339	8400
<I/σ(I)>	15.19	41.4	2.2
Completeness [%]	94.6	96.2	74.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	30.00% polyethylene glycol 6000, 0.1M HEPES pH 7.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K