1Y80

Structure of a corrinoid (factor IIIm)-binding protein from Moorella thermoacetica

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.5798
Spacegroup name	P 21 21 2
Unit cell lengths	55.689, 62.738, 34.543
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.630 - 1.700
R-factor	0.1757
Rwork	0.174
R-free	0.21010
Structure solution method	SAD
RMSD bond length	0.015
RMSD bond angle	1.954
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE (2.02)
Refinement software	REFMAC (refmac_5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.660
High resolution limit [Å]	1.600	3.450	1.600
Rmerge	0.077	0.064	0.216
Number of reflections	13939
Completeness [%]		89.3	38.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	modified microbatch	6.7	291	0.1M Sodium HEPES, 1.6M ammonium sulfate, 30% 1,6-hexanediol, pH 6.7, modified microbatch, temperature 291K