3KNY

Crystal structure of a two domain protein with unknown function (bt_3535) from bacteroides thetaiotaomicron vpi-5482 at 2.60 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	2009-07-08
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91162,0.97941
Spacegroup name	P 64 2 2
Unit cell lengths	120.029, 120.029, 94.767
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.831 - 2.600
R-factor	0.204
Rwork	0.202
R-free	0.23900
Structure solution method	MAD
RMSD bond length	0.015
RMSD bond angle	1.536
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.5)
Phasing software	SHELX
Refinement software	REFMAC (5.5.0053)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.831	28.830	2.670
High resolution limit [Å]	2.600	11.630	2.600
Rmerge	0.124	0.011	0.011
Total number of observations		1398	10029
Number of reflections	12900
<I/σ(I)>	16.7	12.4	0.7
Completeness [%]	99.9	93.8	100
Redundancy	10.5	8	10.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.93	277	40.9000% 2-methyl-2,4-pentanediol, 0.1M HEPES pH 6.93, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K