1KM3

crystal structure of ODCase mutant K42A complexed with 6-azaUMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	100
Detector technology	CCD
Collection date	2000-01-01
Detector	ADSC QUANTUM 4
Wavelength(s)	1.000
Spacegroup name	C 2 2 21
Unit cell lengths	58.355, 103.178, 73.512
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 * - 1.500
R-factor	0.162
Rwork	0.162
R-free	0.19200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	23.200 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.590
High resolution limit [Å]	1.500	1.500
Rmerge	0.044 *
Total number of observations	486020 *
Number of reflections	33670
Completeness [%]	93.7	92.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5 *	298	Wu, N., (2000) Acta Crystallogr., Sect.D, 56, 912. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	11 (mg/ml)
2	1	reservoir	trisodium citrate	1.1 (M)	pH6.5
3	1	reservoir	glycerol	3 (%)