2GVI

Crystal structure of a putative formylmethanofuran dehydrogenase subunit e (ta1109) from thermoplasma acidophilum at 1.87 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2006-03-19
Detector	ADSC QUANTUM 315
Wavelength(s)	1.000001
Spacegroup name	I 2 2 2
Unit cell lengths	78.680, 97.650, 75.270
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.080 - 1.870
R-factor	0.19109
Rwork	0.190
R-free	0.21700
Structure solution method	MAD, MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.644
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELXD
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.080	30.100	1.940
High resolution limit [Å]	1.870	4.020	1.870
Rmerge	0.114	0.024	0.698
Number of reflections	24246
<I/σ(I)>	8.38	25.78	1.27
Completeness [%]	99.5		99.5
Redundancy	4.05

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION,SITTING DROP,NANODROP	6	277	10.0% PEG-8000, 0.2M Zn(OAc)2, 0.1M MES pH 6.0, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K
2	VAPOR DIFFUSION,SITTING DROP,NANODROP	6	277	0.2M MgNO3, 20.0% PEG-3350, No Buffer pH 5.8, pH 6.0, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K