2QBU

Crystal structure of Methanothermobacter thermautotrophicus CbiL

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-3
Synchrotron site	ESRF
Beamline	ID14-3
Temperature [K]	100
Detector technology	CCD
Collection date	2004-12-15
Detector	ADSC QUANTUM 4
Wavelength(s)	0.931
Spacegroup name	P 62
Unit cell lengths	135.911, 135.911, 50.369
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.380 - 2.100
R-factor	0.20515
Rwork	0.202
R-free	0.27043
Structure solution method	MIR
Starting model (for MR)	B. megaterium CbiF
RMSD bond length	0.011
RMSD bond angle	1.418
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MLPHARE
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.380	2.210
High resolution limit [Å]	2.100	2.100
Rmerge	0.074	0.363
Number of reflections	31826
<I/σ(I)>	7.5	4.8
Completeness [%]	100.0	100
Redundancy	7.5	7.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	100 mM MES buffer, pH 6.5, containing 2.5 M ammonium sulphate, VAPOR DIFFUSION, HANGING DROP, temperature 298K