1A4X

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

Experimental procedure

Source type	ROTATING ANODE
Source details	RIGAKU RUH2R
Temperature [K]	120
Detector technology	IMAGE PLATE
Collection date	1995-09
Detector	RIGAKU RAXIS II
Spacegroup name	H 3 2
Unit cell lengths	100.580, 100.580, 275.150
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	15.000 - 2.300
R-factor	0.211
Rwork	0.211
R-free	0.24700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1a3c
RMSD bond length	0.011
RMSD bond angle	1.450 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000	2.400
High resolution limit [Å]	2.300	2.300
Rmerge	0.050 *
Total number of observations	92317 *
Number of reflections	23877
<I/σ(I)>	34	8
Completeness [%]	98.6	97.5
Redundancy	3.9	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5 *	20 *	PROTEIN WAS CRYSTALLIZED FROM 14-16% PEG 6000, 300 MM AMMONIUM SULFATE, 0.2% BETA-OCTYLGLUCOSIDE, 50 MM SODIUM SUCCINATE, PH 5.1. HEXAGONAL SETTING FOR R 3 2.

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