1BY5

FHUA FROM E. COLI, WITH ITS LIGAND FERRICHROME

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	293
Detector technology	IMAGE PLATE
Collection date	1997-08-15
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	132.200, 89.400, 89.900
Unit cell angles	90.00, 95.40, 90.00

Refinement procedure

Resolution	12.000 - 2.600
R-factor	0.184
Rwork	0.184
R-free	0.22900
Structure solution method	MAD
RMSD bond length	0.007
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (0.4)

Data quality characteristics

	Overall
Low resolution limit [Å]	30.000
High resolution limit [Å]	2.590
Rmerge	0.060
Number of reflections	30766
Completeness [%]	92.8
Redundancy	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	6.2		protein solution is mixed in a 1:2 ratio with well solution *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	12.3 (mg/ml)
2	1	reservoir	PEG2000	33 (%)
3	1	reservoir		0.45 (M)
4	1	reservoir		0.15 (M)
5	1	reservoir	n-octyl-2-hydroxyethyl-sulfoxide	0.5 (%)