2PUG

CRYSTAL STRUCTURE OF THE LACI FAMILY MEMBER, PURR, BOUND TO DNA: MINOR GROOVE BINDING BY ALPHA HELICES

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	293
Detector technology	AREA DETECTOR
Detector	SDMS
Spacegroup name	C 2 2 21
Unit cell lengths	175.980, 95.190, 81.220
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 2.700
R-factor	0.171
RMSD bond length	0.011
RMSD bond angle	1.060
Refinement software	TNT

Data quality characteristics

	Overall
High resolution limit [Å]	2.700
Rmerge	0.076
Total number of observations	68392 *
Number of reflections	18672
<I/σ(I)>	8.5
Completeness [%]	98.0
Redundancy	3.66

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	293	Schumacher, M.A., (1994) J.Mol.Biol, 242, 302. *

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	WATER
10	1	2	AMMONIUM PHOSPHATE
2	1	1	NA-K PHOSPHATE
3	1	1	DTT
4	1	1	NA CACODYLATE
5	1	1	PRECIPITATING SOLUTION
6	1	2	WATER
7	1	2	PEG 4000
8	1	2	AMMONIUM SULFATE
9	1	2	COBALT HEXAMINE

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)	pH7.5
2	1	drop	DTT	1.0 (mM)
3	1	drop	sodium potassium phosphate	160 (mM)	pH7.4
4	1	drop	DNA	0.6 (mM)
5	1	drop	sodium cacodylate	50 (mM)	pH6.9
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)	pH7.5