1D7A

CRYSTAL STRUCTURE OF E. COLI PURE-MONONUCLEOTIDE COMPLEX.

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	1998-12-09
Detector	ADSC QUANTUM 4
Spacegroup name	P 21 21 21
Unit cell lengths	86.920, 94.550, 149.960
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 2.500
R-factor	0.2
Rwork	0.203
R-free	0.23900
RMSD bond length	0.009 *
RMSD bond angle	1.240 *
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	X-PLOR
Refinement software	X-PLOR (3.843)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.640
High resolution limit [Å]	2.500	2.500
Rmerge	0.087	0.277
Total number of observations	99859 *
Number of reflections	37498
<I/σ(I)>	7.2
Completeness [%]	87.7	83.6
Redundancy	2.7	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	281	PEG4000, Ammonium Acetate, TRIS.HCl, 4-CARBOXY AMINOIMIDAZOLE RIBONUCLEOTIDE (CAIR), pH 8.00, VAPOR DIFFUSION, HANGING DROP, temperature 281K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG4000	20-22 (%)
2	1	reservoir	ammonium acetate	0.2 (M)
3	1	reservoir	Tris-HCl	0.1 (M)