2HUJ

Crystal structure of a protein of uknown function (NP_471338.1) from Listeria innocua at 1.74 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	2006-07-17
Detector	ADSC QUANTUM 315
Wavelength(s)	1.000001
Spacegroup name	P 63 2 2
Unit cell lengths	100.110, 100.110, 66.916
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.424 - 1.740
R-factor	0.175
Rwork	0.173
R-free	0.20700
Structure solution method	MAD
RMSD bond length	0.018
RMSD bond angle	1.211
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHELX
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.424	29.450	1.790
High resolution limit [Å]	1.740	7.780	1.740
Rmerge	0.076	0.042	0.852
Total number of observations		2601	9794
Number of reflections	20444
<I/σ(I)>	6.4	12.7	0.9
Completeness [%]	98.7	91.6	96.8
Redundancy	11.5	10.1	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP, NANODROP	4.6	277	30.0% Glycerol, 5.6% PEG-4000, 0.1M Acetate, pH 4.6, VAPOR DIFFUSION, SITTING DROP, NANODROP, temperature 277K
2	VAPOR DIFFUSION, SITTING DROP, NANODROP	4.5	277	0.2M Ca(OAc)2, 30.0% PEG-400, 0.1M Acetate, pH 4.5, VAPOR DIFFUSION, SITTING DROP, NANODROP, temperature 277K