4P80

Structure of ancestral PyrR protein (AncGREENPyrR)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-05-20
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.92
Spacegroup name	C 1 2 1
Unit cell lengths	123.430, 67.030, 56.820
Unit cell angles	90.00, 101.06, 90.00

Refinement procedure

Resolution	60.570 - 1.600
R-factor	0.21623
Rwork	0.215
R-free	0.24804
RMSD bond length	0.023
RMSD bond angle	2.245
Refinement software	REFMAC (5.8.0069)

Data quality characteristics

	Overall
Low resolution limit [Å]	20.270
High resolution limit [Å]	1.600
Number of reflections	54426
<I/σ(I)>	5.6
Completeness [%]	95.4
Redundancy	2.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.8	293	1.2M Ammonium Sulfate, 0.08M Na acetate pH4.8, 20% Glycerol