1G4T

THIAMIN PHOSPHATE SYNTHASE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F1
Synchrotron site	CHESS
Beamline	F1
Temperature [K]	100
Detector technology	CCD
Collection date	1998-11-01
Detector	ADSC QUANTUM 4
Spacegroup name	P 43 21 2
Unit cell lengths	76.790, 76.790, 140.330
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.940 - 1.550
R-factor	0.209 *
Rwork	0.213
R-free	0.23300 *
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1g4e
RMSD bond length	0.005 *
RMSD bond angle	1.100 *
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]	42.940
High resolution limit [Å]	1.550
Rmerge	0.064	0.248 *
Number of reflections	60821 *
<I/σ(I)>	7.3
Completeness [%]	98.6 *	92.6 *
Redundancy	5.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	7.5	4 *	Chiu, H.-J., (1999) Biochemistry, 38, 6460. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	drop	Tris-HCl	50 (mM)
3	1	drop	dithiothreitol	2 (mM)
4	1	reservoir	Tris-HCl	75 (mM)
5	1	reservoir		75 (mM)
6	1	reservoir	PEG4000	24-26 (%(v/v))
7	1	reservoir	beta-mercaptoethanol	2 (mM)
8	1	reservoir	beta-octylglucopyranoside	5 (mM)