3JQK

Crystal structure of the molybdenum cofactor biosynthesis protein C (TTHA1789) from Thermus Theromophilus HB8 (H32 FORM)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Detector technology	CCD
Collection date	2006-08-24
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.97243
Spacegroup name	H 3 2
Unit cell lengths	106.573, 106.573, 59.251
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	23.500 - 1.750
R-factor	0.199
Rwork	0.199
R-free	0.21800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3jqj
RMSD bond length	0.004
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.810
High resolution limit [Å]	1.750	1.750
Rmerge	0.080	0.177
Number of reflections	13115
Completeness [%]	99.9	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	293	0.1M NA ACETATE, 1.0M AMMONIUM H2 PHOSPHATE, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K