1CWT

HUMAN CDC25B CATALYTIC DOMAIN WITH METHYL MERCURY

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	SIEMENS
Temperature [K]	293
Detector technology	AREA DETECTOR
Collection date	1997-07-09
Detector	SIEMENS HI-STAR
Spacegroup name	P 21 21 21
Unit cell lengths	52.166, 72.378, 75.553
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 2.300
R-factor	0.152 *
R-free	0.19400 *
Structure solution method	MIR
RMSD bond length	0.021 *
RMSD bond angle	1.800 *
Data reduction software	SADIE
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	2.400
High resolution limit [Å]	2.300 *	2.300
Rmerge	0.080 *	0.310
Total number of observations	37331 *
Number of reflections	20650 *
<I/σ(I)>	28.5	2.3
Completeness [%]	94.0	62.3
Redundancy	1.3

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, CH(3)HGCL,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 (%)