4C21

L-Fucose Isomerase In Complex With Fucitol

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-03-27
Detector	MARRESEARCH MX-300HE
Spacegroup name	H 3 2
Unit cell lengths	152.850, 152.850, 408.330
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.710 - 2.550
R-factor	0.13785
Rwork	0.135
R-free	0.18750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1fui
RMSD bond length	0.011
RMSD bond angle	1.454
Data reduction software	AutoProcess
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.690
High resolution limit [Å]	2.550	2.550
Rmerge	0.110	0.550
Number of reflections	59825
<I/σ(I)>	17.4	4.3
Completeness [%]	99.5	97.3
Redundancy	9.8	8.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8		SPFCSI AT A CONCENTRATION OF 12 MG ML-1, BUFFERED IN 20 MM TRIS-HCL (PH 7.0), 150 MM NACL, AND 2 MM DTT WAS CRYSTALLIZED BY MIXING WITH EQUAL VOLUMES OF 100 MM TRIS-HCL (PH 8.0), 27% (W PER V) POLYETHYLENE GLYCOL 4,000, 50 MM NACL, AND 200 MM MAGNESIUM SULPHATE