1I7H

CRYSTAL STURCUTURE OF FDX

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL41XU
Synchrotron site	SPring-8
Beamline	BL41XU
Temperature [K]	140
Detector technology	CCD
Detector	MARRESEARCH
Wavelength(s)	1
Spacegroup name	H 3
Unit cell lengths	107.501, 107.501, 85.682
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 * - 1.700
R-factor	0.255 *
Rwork	0.262
R-free	0.27800 *
Structure solution method	MAD
RMSD bond length	0.005
RMSD bond angle	23.400 *
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000 *	1.790
High resolution limit [Å]	1.700	1.700
Rmerge	0.066	0.273
Total number of observations	155486 *
Number of reflections	40083 *
<I/σ(I)>	6.4	1.2
Completeness [%]	98.7	99.6
Redundancy	3.9	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *		23 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	reservoir	Tris-HCl	100 (mM)	pH7.5
3	1	reservoir	PEG4000	33 (%)
4	1	reservoir	2-butanol	5 (%)
5	1	reservoir		80 (mM)