1G8E

CRYSTAL STRUCTURE OF FLHD FROM ESCHERICHIA COLI

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	1998-08-23
Detector	APS-1
Wavelength(s)	0.9464,0.9793,0.9794,1.0332
Spacegroup name	I 4
Unit cell lengths	88.717, 88.717, 42.423
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.800
R-factor	0.218
Rwork	0.218
R-free	0.29900
Structure solution method	MAD
Starting model (for MR)	none
RMSD bond length	0.019
RMSD bond angle	16.800 *
Data reduction software	d*TREK
Data scaling software	d*TREK
Phasing software	SOLVE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	10.000	1.880
High resolution limit [Å]	1.800	1.800
Rmerge	0.034	0.318
Total number of observations	50417 *
Number of reflections	15124
<I/σ(I)>	21.4	2.5
Completeness [%]	97.4	79.6
Redundancy	3.33	2.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.9 *	20 *	0.1 M Tris, 0.2 M sodium acetate, 30% PEG 5000, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 300K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	40 (mg/ml)
2	1	drop	Tris	50 (mM)
3	1	reservoir	PEG5000	20-30 (%)
4	1	reservoir	sodium acetate	0.05-0.2 (M)
5	1	reservoir	Tris-HCl	0.1 (M)