1KUU

CRYSTAL STRUCTURE OF METHANOBACTERIUM THERMOAUTOTROPHICUM CONSERVED PROTEIN MTH1020 REVEALS AN NTN-HYDROLASE FOLD

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X8C
Synchrotron site	NSLS
Beamline	X8C
Temperature [K]	100
Detector technology	CCD
Collection date	2000-08-10
Detector	ADSC QUANTUM 4
Wavelength(s)	1.00000
Spacegroup name	I 41 2 2
Unit cell lengths	107.033, 107.033, 87.051
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	14.500 - 2.200
R-factor	0.229
Rwork	0.229
R-free	0.24800
Structure solution method	MAD
RMSD bond length	0.007
RMSD bond angle	24.600 *
Data reduction software	DENZO
Data scaling software	SDMS
Phasing software	SOLVE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.340
High resolution limit [Å]	2.200	2.250 *
Rmerge	0.049	0.374 *
Total number of observations	113676 *
Number of reflections	13025
<I/σ(I)>	35.6
Completeness [%]	99.0	96.5
Redundancy	9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	20 *	Christendat, D., (2000) J.Biol.Chem., 275, 24608. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	MPD	14 (%)
2	1	reservoir	magnesium acetate	0.2 (M)
3	1	reservoir	HEPES	100 (mM)	pH7.5