1FMA

MOLYBDOPTERIN SYNTHASE (MOAD/MOAE)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X26C
Synchrotron site	NSLS
Beamline	X26C
Temperature [K]	95
Detector technology	CCD
Collection date	1999-11-01
Detector	ADSC QUANTUM 4
Spacegroup name	C 1 2 1
Unit cell lengths	64.150, 47.959, 74.146
Unit cell angles	90.00, 107.35, 90.00

Refinement procedure

Resolution	20.000 - 1.580
R-factor	0.1734
Rwork	0.172
R-free	0.21800
RMSD bond length	0.028
RMSD bond angle	2.216
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.610
High resolution limit [Å]	1.580	1.580
Rmerge	0.066	0.294
Total number of observations	150077 *
Number of reflections	29821
<I/σ(I)>	13.5
Completeness [%]	95.2	88.7 *
Redundancy	5	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	295	Sodium chloride, Hepes , pH 7.5, VAPOR DIFFUSION, temperature 295K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir		5 (M)
2	1	reservoir	HEPES	0.1 (M)