2UYR

Crystal structure of Bacillus cereus sphingomyelinase mutant :N57A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-E
Temperature [K]	100
Collection date	2006-06-07
Detector	RIGAKU IMAGING PLATE
Spacegroup name	P 21 21 21
Unit cell lengths	55.090, 63.927, 101.690
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.150 - 2.400
R-factor	0.184
Rwork	0.182
R-free	0.23500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ddt
RMSD bond length	0.017
RMSD bond angle	1.631
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CCP4I
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.440	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.150	0.330
Number of reflections	14493
<I/σ(I)>	4.9
Completeness [%]	98.7	96.5
Redundancy	11.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5		0.1 M CALCIUM ACETATE 0.2 M SODIUM CACODYLATE (PH7.5) 18% PEG 8000