4LHB

Crystal structure of tungsten cofactor synthesizing protein MoaB from Pyrococcus furiosus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-12-12
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.918
Spacegroup name	P 31 2 1
Unit cell lengths	125.939, 125.939, 73.440
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.220 - 2.500
R-factor	0.18009
Rwork	0.177
R-free	0.23122
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1y5e
RMSD bond length	0.016
RMSD bond angle	1.938
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.220	2.565
High resolution limit [Å]	2.500	2.500
Number of reflections	22319
Completeness [%]	100.0	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	0.1 MES pH 6.0, 40 % PEG 400, 5% PEG 3000, VAPOR DIFFUSION, SITTING DROP, temperature 293K