2Q0X

Alpha/Beta hydrolase fold protein of unknown function

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2005-06-22
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97953
Spacegroup name	P 31 2 1
Unit cell lengths	63.556, 63.556, 303.186
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	101.020 - 2.200
R-factor	0.208
Rwork	0.206
R-free	0.25000
Structure solution method	SAD
RMSD bond length	0.012
RMSD bond angle	1.247
Data reduction software	TRUNCATE (CCP4_5.0)
Data scaling software	SCALA
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	101.062	303.190	2.320
High resolution limit [Å]	2.200	6.960	2.200
Rmerge	0.060	0.031	0.612
Total number of observations		8286	33058
Number of reflections	37476
<I/σ(I)>	8.1	15.5	1.2
Completeness [%]	99.9	99.6	99.5
Redundancy	7.1	6.1	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	290	0.4 ul protein: 10.5 mg/ml, 0.4 ul crystallization buffer: 35% PEG 400, 100 mM NaCl, 100 mM MES pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 290K