1G23

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

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2000-03-01
Detector	MARRESEARCH
Wavelength(s)	0.885
Spacegroup name	P 1
Unit cell lengths	71.583, 73.901, 133.748
Unit cell angles	89.81, 80.31, 80.18

Refinement procedure

Resolution	72.550 - 2.800
R-factor	0.2011
Rwork	0.199
R-free	0.22600
RMSD bond length	0.025
RMSD bond angle	2.270 *
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]	30.000	2.870
High resolution limit [Å]	2.800	2.800
Rmerge	0.024	0.089
Total number of observations	224654 *
Number of reflections	121112
<I/σ(I)>	29.7	9.8
Completeness [%]	92.7	69.4
Redundancy	1.9	1.7

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)