3BEY

Crystal structure of the protein O27018 from Methanobacterium thermoautotrophicum. Northeast Structural Genomics Consortium target TT217

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	2002-08-23
Detector	ADSC QUANTUM 4
Spacegroup name	P 1 21 1
Unit cell lengths	59.528, 71.985, 61.418
Unit cell angles	90.00, 99.08, 90.00

Refinement procedure

Resolution	19.610 - 2.400
R-factor	0.206
Rwork	0.206
R-free	0.25800
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	1.090
Data reduction software	DENZO
Data scaling software	SCALA
Phasing software	SOLVE
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.076	0.304
Number of reflections	20125
<I/σ(I)>	18.9	3.6
Completeness [%]	97.8	88.2
Redundancy	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1			293	0.2M CaCl2, 20% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 293K