1CWR

HUMAN CDC25B CATALYTIC DOMAIN WITHOUT ION IN CATALYTIC SITE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	SIEMENS
Temperature [K]	293
Detector technology	AREA DETECTOR
Collection date	1997-04-06
Detector	SIEMENS HI-STAR
Spacegroup name	P 21 21 21
Unit cell lengths	51.733, 71.110, 75.247
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 2.100
R-factor	0.175 *
R-free	0.22400 *
Structure solution method	MIR
RMSD bond length	0.015 *
RMSD bond angle	2.400 *
Data reduction software	SAINT
Data scaling software	SAINT
Phasing software	XTAL (V. 3.0)
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.070
High resolution limit [Å]	2.100 *	2.100 *
Rmerge	0.052 *	0.230 *
Total number of observations	26953 *
Number of reflections	15237 *
<I/σ(I)>	20.1	1.6
Completeness [%]	90.1 *	70.7 *
Redundancy	1.75

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	9	4.0 *	4 MICROLITERS PROTEIN (10 MG/ ML IN 50 MM TRISHCL, 1% BME AT PH 9.0) MIXED WITH 4 MICROLITERS WELL BUFFER (1.8 (NH4)2SO4, 0.5 M NACL, 0.1 M TRISHCL, 0.25 BME) AT 4 DEG. C

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	Tris-HCl	50 (mM)
3	1	drop	beta-mercaptoethanol	1 (%(v/v))
4	1	reservoir	ammonium sulfate	1.8 (M)
5	1	reservoir		0.5 (M)
6	1	reservoir	Tris-HCl	0.1 (M)
7	1	reservoir	BME	0.25 (%)