3IWT

Structure of hypothetical molybdenum cofactor biosynthesis protein B from Sulfolobus tokodaii

Replaces:  2PJK

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX10.1
Synchrotron site	SRS
Beamline	PX10.1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-03-04
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.074
Spacegroup name	P 64 2 2
Unit cell lengths	136.675, 136.675, 210.525
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.740 - 1.900
R-factor	0.16936
Rwork	0.168
R-free	0.18695
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1y5e
RMSD bond length	0.015
RMSD bond angle	1.477
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC (5.3.0037)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.065	0.610
Number of reflections	91510
<I/σ(I)>		2
Completeness [%]	98.5	97.7
Redundancy	9	4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	MICROBATCH UNDER OIL	7	298	10% W/V PEG 8000, 0.1M TRIS-HCL, 0.2M MGCL2, pH 7.0, MICROBATCH UNDER OIL, temperature 298.0K