1ALN

CRYSTAL STRUCTURE OF CYTIDINE DEAMINASE COMPLEXED WITH 3-DEAZACYTIDINE

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	297
Detector technology	IMAGE PLATE
Collection date	1993-09
Detector	RIGAKU RAXIS II
Spacegroup name	P 31 2 1
Unit cell lengths	120.300, 120.300, 78.400
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	7.000 - 2.300
R-factor	0.19
Rwork	0.190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ctu
RMSD bond length	0.008
RMSD bond angle	1.800
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR (3.0)
Refinement software	X-PLOR (3.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.500
High resolution limit [Å]	2.300	2.300
Rmerge	0.065
Total number of observations	131378 *
Number of reflections	27432
<I/σ(I)>	16	2.8
Completeness [%]	90.3	83
Redundancy	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	6.2	4 *	pH 6.2

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	11-16 (mg/ml)
2	1	drop	ammonium sulfate	14-20 (%sat)
3	1	drop	inhibitor	2 (mM)
4	1	reservoir	ammonium sulfate	32-45 (%sat)