1XI8

Molybdenum cofactor biosynthesis protein from Pyrococcus furiosus Pfu-1657500-001

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2003-11-16
Detector	ADSC QUANTUM 210
Wavelength(s)	1.000
Spacegroup name	P 21 21 21
Unit cell lengths	63.547, 116.599, 147.226
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.954 - 2.504
Rwork	0.306
R-free	0.34300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1fc5
RMSD bond length	0.009
RMSD bond angle	1.267
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (refmac_5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.590
High resolution limit [Å]	2.500	5.380	2.500
Rmerge	0.051	0.025	0.316
Total number of observations		4062	3050
Number of reflections	37143
Completeness [%]	96.6	99.3	81.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	modified microbatch		291	25.5%w/v PEG-8000, 0.17M ammonium sulfate, 15%v/v glycerol, pH no buffer, modified microbatch, temperature 291K