1XZN

PYRR, THE REGULATOR OF THE PYRIMIDINE BIOSYNTHETIC OPERON IN BACILLUS CALDOLYTICUS, sulfate-bound form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-ID-B
Synchrotron site	APS
Beamline	14-ID-B
Spacegroup name	P 41 21 2
Unit cell lengths	106.460, 106.460, 62.200
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.270
Rwork	0.220
R-free	0.27000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1non
RMSD bond length	0.060
RMSD bond angle	1.200
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall
Low resolution limit [Å]	37.810
High resolution limit [Å]	2.270
Rmerge	0.094
Number of reflections	16124
<I/σ(I)>	20.6
Completeness [%]	95.1
Redundancy	10

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	298	100mM Na cacodylate, 100mM Amm sulfate, 2mM Mg sulfate, 10% Pek 4000, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K