3G0K

Crystal structure of a protein of unknown function with a cystatin-like fold (saro_2880) from novosphingobium aromaticivorans dsm at 1.30 A resolution

Experimental procedure

Experimental method	SAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2008-11-15
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97821
Spacegroup name	P 32 2 1
Unit cell lengths	54.343, 54.343, 93.947
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	26.100 - 1.300
R-factor	0.121
Rwork	0.120
R-free	0.14300
Structure solution method	SAD
RMSD bond length	0.018
RMSD bond angle	1.807
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]	26.100	26.100	1.330
High resolution limit [Å]	1.300	5.810	1.300
Rmerge	0.066	0.062	0.442
Total number of observations		4588	9498
Number of reflections	39549
<I/σ(I)>	6.15	10	1.8
Completeness [%]	98.3	97.5	81.9
Redundancy	6.2	8.8	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	277	NANODROP, 0.020M CaCl2, 30.0% MPD, 0.1M Acetate pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 277K