1KM5

Crystal structure of ODCase mutant D75N 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	2000-11-15
Detector	ADSC QUANTUM 4
Wavelength(s)	1.000
Spacegroup name	C 2 2 21
Unit cell lengths	58.231, 103.840, 73.818
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 * - 1.500
R-factor	0.165
Rwork	0.165
R-free	0.19500
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	22.900 *
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	0.036 *
Total number of observations	294980 *
Number of reflections	34281 *
Completeness [%]	95.0	92.7

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 (%)