3KZT

Crystal structure of Protein of unknown function (NP_812423.1) from BACTEROIDES THETAIOTAOMICRON VPI-5482 at 2.10 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	2009-06-10
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97916
Spacegroup name	P 21 21 21
Unit cell lengths	43.698, 46.261, 130.533
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.560 - 2.100
R-factor	0.224
Rwork	0.222
R-free	0.26800
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.289
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]	28.560	28.560	2.150
High resolution limit [Å]	2.100	9.390	2.100
Rmerge	0.108	0.037	0.629
Total number of observations		597	3906
Number of reflections	16114
<I/σ(I)>	9.2	13	1.2
Completeness [%]	99.9	95.6	100
Redundancy	3.4	2.8	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.8	277	3.0000M ammonium sulfate, 0.1M MES pH 5.8, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K