1A3C

PYRR, THE BACILLUS SUBTILIS PYRIMIDINE BIOSYNTHETIC OPERON REPRESSOR, DIMERIC FORM

Experimental procedure

Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1995-09
Detector	MARRESEARCH
Spacegroup name	C 1 2 1
Unit cell lengths	76.700, 57.700, 55.000
Unit cell angles	90.00, 129.00, 90.00

Refinement procedure

Resolution	15.000 - 1.600
R-factor	0.192
Rwork	0.192
R-free	0.23300
Structure solution method	MAD
RMSD bond length	0.011
RMSD bond angle	1.580 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall
Low resolution limit [Å]	40.000
High resolution limit [Å]	1.550
Rmerge	0.085 *
Total number of observations	104445 *
Number of reflections	26609
<I/σ(I)>	11.7
Completeness [%]	98.0
Redundancy	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5 *	20 *	PROTEIN WAS CRYSTALLIZED FROM 13-16% PEG 6000, 300 MM AMMONIUM SULFATE, 0.2% BETA-OCTYLGLUCOSIDE, 50 MM SODIUM SUCCINATE, PH 5.1, AND 1 MM SAMARIUM NITRATE.

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	Tris-acetate	10 (mM)	pH7.5
3	1	drop	beta-octylglucoside	0.2 (%)
4	1	reservoir	PEG6000	13-16 (%)
5	1	reservoir	ammonium sulfate	300 (mM)
6	1	reservoir	sodium succinate	50 (mM)	pH5.1