1QQB

PURINE REPRESSOR MUTANT-HYPOXANTHINE-PALINDROMIC OPERATOR COMPLEX

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	298
Detector technology	AREA DETECTOR
Collection date	1995-12-15
Detector	UCSD MARK III
Spacegroup name	C 2 2 21
Unit cell lengths	176.620, 95.610, 80.280
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 2.700
R-factor	0.165
RMSD bond length	0.015
RMSD bond angle	1.800
Data reduction software	UCSD-system
Data scaling software	UCSD-system
Refinement software	TNT

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	10.000	2.930
High resolution limit [Å]	2.700	2.660
Rmerge	0.045 *
Total number of observations	64008 *
Number of reflections	18270
<I/σ(I)>	10.2
Completeness [%]	98.0	74.2
Redundancy	3.5	1.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	PEG 4000, (NH4)3PO4, (NH4)2SO4, [CO(NH3)6]CL3, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	[CO(NH3)6]CL3
2	1	1	(NH4)3PO4
3	1	1	NA2SO4
4	1	1	PEG 4000
5	1	2	(NH4)3PO4
6	1	2	NA2SO4
7	1	2	PEG 4000

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	0.5 (mM)
10	1	reservoir	PEG4000	25 (%)
11	1	reservoir	ammonium sulfate	0.4 (M)
12	1	reservoir	cobalt hexammine	50 (mM)
13	1	reservoir	ammonium phosphate	0.1 (M)
2	1	drop	dithiothreitol	1.0 (mM)
3	1	drop	sodium potassium phosphate	160 (mM)
4	1	drop	DNA	0.6 (mM)
5	1	drop	sodium cacodylate	50 (mM)
6	1	drop	PEG4000	25 (%)
7	1	drop	ammonium sulfate	0.4 (M)
8	1	drop	cobalt hexammine	50 (mM)
9	1	drop	ammonium phosphate	0.1 (M)