4HCW

Structure of a eukaryotic thiaminase-I

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97934
Spacegroup name	C 2 2 21
Unit cell lengths	104.560, 203.050, 309.180
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.300 - 2.705
R-factor	0.2309
Rwork	0.229
R-free	0.26530
Structure solution method	SIRAS, pseudo-MAD phasing, molecular replacement
RMSD bond length	0.002
RMSD bond angle	0.570
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.300	2.760
High resolution limit [Å]	2.700	2.700
Rmerge		0.843
Number of reflections	89559
<I/σ(I)>	36.5	2.4
Completeness [%]	99.8	97.7
Redundancy	14.5	10.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	1.7 M ammonium sulfate, 15% (v/v) glycerol, 1.7% (v/v) PEG 400, 85 mM HEPES , pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K