1IPF

TROPINONE REDUCTASE-II COMPLEXED WITH NADPH AND TROPINONE

Experimental procedure

Experimental method	LAUE
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-3
Synchrotron site	ESRF
Beamline	ID14-3
Temperature [K]	288
Detector technology	IMAGE PLATE
Collection date	1998-12-11
Detector	FUJI
Wavelength(s)	0.7-1.65
Spacegroup name	P 61 2 2
Unit cell lengths	88.600, 88.600, 337.200
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	10.000 - 2.500
Rwork	0.197
R-free	0.26500
Starting model (for MR)	2ae2
RMSD bond length	0.008
RMSD bond angle	1.332 *
Data reduction software	LAUENORM
Data scaling software	LAUENORM
Phasing software	X-PLOR (3.851)
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	9999.000 *	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.134	0.270
Total number of observations	155667 *
Number of reflections	24567
Completeness [%]	86.5	84.3
Redundancy	6.34

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	7.5	289	Petsko, G.A., (2000) Curr. Opin. Chem. Biol., 4, 89. *