1J9W

Solution Structure of the CAI Michigan 1 Variant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	MACSCIENCE M12X
Temperature [K]	100
Detector technology	CCD
Collection date	2000-05-26
Detector	BRUKER SMART 1000
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	61.875, 71.732, 120.392
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 2.600
R-factor	0.197 *
Rwork	0.205
R-free	0.31100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1czm
RMSD bond length	0.013 *
RMSD bond angle	0.046 *
Data reduction software	SAINT
Data scaling software	SAINT
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.690
High resolution limit [Å]	2.600	2.600
Rmerge	0.094 *
Total number of observations	58715 *
Number of reflections	17329 *
<I/σ(I)>	7.8	1.5
Completeness [%]	97.9	100
Redundancy	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	295	PEG 4000, litium chloride,ethylene glicol , pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	enzyme	15 (mg/ml)
2	1	drop	Tris sulfate	10 (mM)
3	1	reservoir	PEG4000	25 (%(w/v))
4	1	reservoir		0.4 (M)
5	1	reservoir	Tris-HCl	100 (mM)
6	1	reservoir	ethylene glycol	10 (%)