1P1M

Structure of Thermotoga maritima amidohydrolase TM0936 bound to Ni and methionine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Collection date	2003-03-28
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9790
Spacegroup name	P 32 2 1
Unit cell lengths	113.373, 113.373, 79.884
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.640 - 1.500
R-factor	0.2011
Rwork	0.201
R-free	0.21300
Structure solution method	SIR
RMSD bond length	0.005
RMSD bond angle	1.200
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (0.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.550
High resolution limit [Å]	1.500	1.500
Rmerge	0.082	0.358
Number of reflections	94669
<I/σ(I)>	13	2.5
Completeness [%]	99.6	97.9
Redundancy		4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	2.8M Sodium Formate, VAPOR DIFFUSION, HANGING DROP, temperature 291K
1	VAPOR DIFFUSION, HANGING DROP		291	2.8M Sodium Formate, VAPOR DIFFUSION, HANGING DROP, temperature 291K