1JYS

Crystal Structure of E. coli MTA/AdoHcy Nucleosidase

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X8C
Synchrotron site	NSLS
Beamline	X8C
Temperature [K]	100
Detector technology	CCD
Collection date	2000-05-17
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97913, 0.97898, 0.96379
Spacegroup name	P 21 21 2
Unit cell lengths	51.080, 133.030, 70.850
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.900
Rwork	0.217
R-free	0.23900
Structure solution method	MAD
RMSD bond length	0.006
RMSD bond angle	23.200 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.043	0.215
Total number of observations	205182 *
Number of reflections	38710 *
Completeness [%]	97.6	95.4 *
Redundancy	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	20 *	sodium citrate, CHES, CHAPS, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	8.5	20 *	sodium citrate, CHES, CHAPS, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	15 (mg/ml)
2	1	drop	sodium citrate	0.7 (M)
3	1	drop	CHES	100 (mM)	pH8.5
4	1	drop	CHAPS detergent	0.8 (mM)