2IGB

Crystal Structure of PyrR, The Regulator Of The Pyrimidine Biosynthetic Operon In Bacillus caldolyticus, UMP-bound form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Collection date	2006-03-22
Wavelength(s)	0.97000
Spacegroup name	P 21 21 2
Unit cell lengths	66.281, 96.752, 63.104
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.310 - 1.680
R-factor	0.18452
Rwork	0.182
R-free	0.22375
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1non
RMSD bond length	0.016
RMSD bond angle	1.702
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.740
High resolution limit [Å]	1.680	1.680
Rmerge	0.079	0.930
Number of reflections	46630
Redundancy	7	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	298	0.1M sodium citrate, 0.2M sodium chloride, 1.0M diammonium hydrogen phosphate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K