1G0R

THE STRUCTURAL BASIS OF THE CATALYTIC MECHANISM AND REGULATION OF GLUCOSE-1-PHOSPHATE THYMIDYLYLTRANSFERASE (RMLA). THYMIDINE/GLUCOSE-1-PHOSPHATE COMPLEX.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2000-02-29
Detector	MARRESEARCH
Spacegroup name	P 1
Unit cell lengths	71.274, 73.084, 133.652
Unit cell angles	89.98, 81.42, 81.56

Refinement procedure

Resolution	73.000 - 1.870
R-factor	0.151
Rwork	0.147
R-free	0.22100
RMSD bond length	0.022
RMSD bond angle	2.520 *
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	SOLVE
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	72.550	1.970
High resolution limit [Å]	1.870	1.870
Rmerge	0.067	0.291
Total number of observations	333697 *
Number of reflections	183207
<I/σ(I)>	6.9
Completeness [%]	84.7	66.8
Redundancy	1.8	1.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	293 *	Blankenfeldt, W., (2000) Acta Crystallogr.,Sect.D, 56, 1501. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG6000	9-12 (%(w/v))
2	1	reservoir	lithium sulfate	0.5 (M)
3	1	reservoir	citrate/NaOH	0.1 (M)	or are