1MO9

NADPH DEPENDENT 2-KETOPROPYL COENZYME M OXIDOREDUCTASE/CARBOXYLASE COMPLEXED WITH 2-KETOPROPYL COENZYME M

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-1
Synchrotron site	SSRL
Beamline	BL9-1
Temperature [K]	93
Detector technology	IMAGE PLATE
Collection date	2000-02-19
Detector	MAR scanner 345 mm plate
Wavelength(s)	0.78
Spacegroup name	P 1 21 1
Unit cell lengths	87.980, 60.120, 105.600
Unit cell angles	90.00, 102.50, 90.00

Refinement procedure

Resolution	20.000 * - 1.650
R-factor	0.188
Rwork	0.188
R-free	0.21300
Structure solution method	MIRAS
RMSD bond length	0.005
RMSD bond angle	23.200 *
Data reduction software	MOSFLM
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall
Low resolution limit [Å]	20.000
High resolution limit [Å]	1.640 *
Rmerge	0.067 *
Total number of observations	504165 *
Number of reflections	164972 *
Completeness [%]	98.2 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6 *	294	Jang, S.B., (2001) Acta Crystallogr., D57, 445. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	drop	2-KPCC	10 (mM)
3	1	reservoir	ammonium acetate	0.17 (M)
4	1	reservoir	trisodium citrate dihydrate	0.085 (M)	pH5.6
5	1	reservoir	PEG4000	25.5 (%(w/v))
6	1	reservoir	glycerol	15 (%(v/v))