1FC5

CRYSTAL STRUCTURE OF MOLYBDOPTERIN BIOSYNTHESIS MOEA PROTEIN

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X8C
Synchrotron site	NSLS
Beamline	X8C
Temperature [K]	100
Detector technology	CCD
Collection date	2000-05-28
Detector	ADSC QUANTUM 4
Spacegroup name	P 21 21 21
Unit cell lengths	76.640, 101.850, 103.440
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.200
R-factor	0.226 *
Rwork	0.253
R-free	0.27700 *
RMSD bond length	0.008
RMSD bond angle	1.440
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000 *	2.230
High resolution limit [Å]	2.200	2.200
Rmerge	0.067 *	0.209 *
Total number of observations	232716 *
Number of reflections	40862 *
<I/σ(I)>	19.6
Completeness [%]	98.2	88.3
Redundancy	5.8	2.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5 *	293	used macroseeding *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG8000	15 (%(w/v))
2	1	reservoir		100 (mM)
3	1	reservoir	sodium cacodylate	100 (mM)
4	1	reservoir	dithiothreitol	5 (mM)
5	1	reservoir	ethylene glycol	1 (%(v/v))
6	1	drop	protein	10 (mg/ml)
7	1	drop	Tris	10 (mM)
8	1	drop	dithiothreitol	5 (mM)