1CTT

TRANSITION-STATE SELECTIVITY FOR A SINGLE OH GROUP DURING CATALYSIS BY CYTIDINE DEAMINASE

Experimental procedure

Detector technology	IMAGE PLATE
Detector	RIGAKU RAXIS
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	20.000 - 2.200
R-factor	0.19
Rwork	0.190
RMSD bond length	0.010
RMSD bond angle	2.400
Data reduction software	R-AXIS
Phasing software	X-PLOR (3.0)
Refinement software	TNT (5A)

Data quality characteristics

	Overall
High resolution limit [Å]	2.100 *
Rmerge	0.078 *
Total number of observations	118087 *
Number of reflections	34000
Completeness [%]	88.0
Redundancy	3.5

Crystallization Conditions

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

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	reservoir	ammonium sulfate	32-45 (%sat)