1M41

Crystal structure of Escherichia coli alkanesulfonate monooxygenase SsuD at 2.3 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	110
Detector technology	CCD
Collection date	2001-04-30
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9795
Spacegroup name	C 2 2 21
Unit cell lengths	116.350, 140.760, 125.210
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 2.300
R-factor	0.236
Rwork	0.235
R-free	0.27500
Structure solution method	MAD
RMSD bond length	0.011
RMSD bond angle	24.160 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.700 *	2.410
High resolution limit [Å]	2.300	2.300
Rmerge	0.062	0.432
Total number of observations	752595 *
Number of reflections	44869 *
<I/σ(I)>	7.8	1.6
Completeness [%]	97.3 *	95.5
Redundancy	4.7	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	297	sodium formate, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 297K
1	VAPOR DIFFUSION, SITTING DROP	7	297	sodium formate, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 297K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	4-5 (mg/ml)
2	1	drop	sodium formate	1.75 (M)
3	1	reservoir	sodium formate	3.5 (M)