1JLS

STRUCTURE OF THE URACIL PHOSPHORIBOSYLTRANSFERASE URACIL/CPR 2 MUTANT C128V

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU300
Temperature [K]	298
Detector technology	IMAGE PLATE
Collection date	1994-04-23
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	71.400, 111.400, 71.900
Unit cell angles	90.00, 97.70, 90.00

Refinement procedure

Resolution	60.000 * - 2.500
R-factor	0.225 *
Rwork	0.232
R-free	0.26500 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1bd3
RMSD bond length	0.017 *
RMSD bond angle	2.180 *
Data reduction software	bioteX
Data scaling software	bioteX
Phasing software	MERLOT
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	60.000	2.660
High resolution limit [Å]	2.500	2.500
Rmerge	0.101	0.265
Total number of observations	99823 *
Number of reflections	32692
<I/σ(I)>	13.5	1.5
Completeness [%]	84.6	56
Redundancy	3	2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.7 *	298	NaCl, citrate/phosphate buffer, PEG 3400, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir		0.2 (M)
2	1	reservoir	sodium citrate/phosphate	15 (mM)	pH4.7
3	1	reservoir	PEG3400	10 (%)