1O57

CRYSTAL STRUCTURE OF THE PURINE OPERON REPRESSOR OF BACILLUS SUBTILIS

Replaces:  1P41

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-1
Synchrotron site	ESRF
Beamline	ID14-1
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1997-09-01
Detector	MARRESEARCH
Wavelength(s)	0.9790, 0.9788, 1.5418
Spacegroup name	P 1
Unit cell lengths	65.077, 72.156, 82.967
Unit cell angles	84.75, 84.03, 67.47

Refinement procedure

Resolution	20.000 - 2.200
R-factor	0.1
Rwork	0.188
R-free	0.23700
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.459 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000 *	2.280
High resolution limit [Å]	2.200 *	2.200 *
Rmerge	0.073 *	0.194 *
Number of reflections	66722
<I/σ(I)>	11.1	3.6
Completeness [%]	97.6	96.6
Redundancy	4.3	1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8 *	20 *	10mg/mL PurR, 83 mM HEPES, pH 7.0, 5% PEG8000, 450 mM Lithium sulfate, 50 mM ammonium sulfate, 300 mM NaCl, 5mM DTT, VAPOR DIFFUSION, HANGING DROP, temperature 293K, pH 7.00
1	VAPOR DIFFUSION, HANGING DROP	8 *	20 *	10mg/mL PurR, 83 mM HEPES, pH 7.0, 5% PEG8000, 450 mM Lithium sulfate, 50 mM ammonium sulfate, 300 mM NaCl, 5mM DTT, VAPOR DIFFUSION, HANGING DROP, temperature 293K, pH 7.00

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	HEPES	10 (mM)	pH8.0
3	1	drop	ammonium sulfate	50 (mM)
4	1	drop		300 (mM)
5	1	reservoir	PEG8000	5 (%)
6	1	reservoir	HEPES	66.7 (mM)	pH7.0
7	1	reservoir		167 (mM)