1DKR

CRYSTAL STRUCTURES OF BACILLUS SUBTILIS PHOSPHORIBOSYLPYROPHOSPHATE SYNTHETASE: MOLECULAR BASIS OF ALLOSTERIC INHIBITION AND ACTIVATION.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	274
Detector technology	IMAGE PLATE
Collection date	1994-05-23
Detector	RIGAKU RAXIS II
Spacegroup name	P 63
Unit cell lengths	115.610, 115.610, 107.750
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 2.300
R-factor	0.18
Rwork	0.180
R-free	0.24000
RMSD bond length	0.014
RMSD bond angle	2.134 *
Data reduction software	DENZO
Data scaling software	CCP4 ((AGROVATA)
Phasing software	MLPHARE
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	2.420
High resolution limit [Å]	2.200	2.300
Rmerge	0.068 *	0.200
Number of reflections	35812 *	5098 *
<I/σ(I)>	9
Completeness [%]	98.8	99.6
Redundancy	3.4	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8 *	298	AMMONIUM SULFATE; TRISHCL; PEG 400; SODIUM PHOSPHATE; BETA-OCTYLGLUCOSIDE; ALPHA, BETA-METHYLENE ATP; RIBOSE-5-PHOSPHATE; MAGNESIUM SULFATE; ADP, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	7 (mg/ml)
2	1	drop	mADP	25 (mM)
3	1	drop		50 (mM)
4	1	drop	beta-octylglucoside	0.5 (%(w/v))
5	1	reservoir	sodium citrate	1 (M)
6	1	reservoir	HEPES	0.1 (M)