1AU7

PIT-1 MUTANT/DNA COMPLEX

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F2
Synchrotron site	CHESS
Beamline	F2
Temperature [K]	111
Detector technology	IMAGE PLATE
Collection date	1994-08
Detector	FUJI
Spacegroup name	P 1
Unit cell lengths	42.500, 50.100, 55.800
Unit cell angles	76.70, 79.30, 67.20

Refinement procedure

Resolution	6.000 - 2.300
Rwork	0.230
R-free	0.30200
Structure solution method	MAD
Starting model (for MR)	NONE
RMSD bond length	0.013
RMSD bond angle	1.710
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASIT
Refinement software	X-PLOR (3.1F)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	2.800
High resolution limit [Å]	2.700	2.700
Rmerge	0.058	0.189
Number of reflections	10021
<I/σ(I)>	18	7
Completeness [%]	87.2	73
Redundancy	2.5	2.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4		A 28 BP DNA DUPLEX (10MG/ML) WAS ADDED TO THE PROTEIN IN A 1:2 MOLAR RATIO. CRYSTALS WERE GROWN BY VAPOR DIFFUSION USING HANGING DROPS OF 1 UL. OF PROTEIN/DNA SOLUTION MIXED 1 UL. OF RESERVOIR SOLUTION. THE BEST CRYSTALS WERE OBTAINED WITH RESERVOIRS CONTAINING 400-600 MM PHOSPHORIC ACID ADJUSTED TO PH 4.0 - 4.3 WITH TRIETHYLAMINE., pH 4.00, vapor diffusion - hanging drop

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	PHOSPHORIC ACID
2	1	1	TRIETHYLAMINE