1RZR

crystal structure of transcriptional regulator-phosphoprotein-DNA complex

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2003-12-02
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9794, 0.9184, 0.9796
Spacegroup name	P 1 21 1
Unit cell lengths	105.710, 109.240, 117.810
Unit cell angles	90.00, 90.05, 90.00

Refinement procedure

Resolution	78.700 - 2.800
R-factor	0.242
Rwork	0.242
R-free	0.28800
Structure solution method	MAD
RMSD bond length	0.014
RMSD bond angle	1.780
Data reduction software	MOSFLM
Data scaling software	CCP4 ((SCALA))
Phasing software	CNS
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	78.700	2.890
High resolution limit [Å]	2.800	2.800
Number of reflections	57469
Completeness [%]	87.0	78

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	ammonium sulphate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents

ID	crystal ID	solution ID	reagent name	concentration	details
1	1	1	ammonium sulphate
2	1	1	H2O
3	1	2	ammonium sulphate
4	1	2	H2O