1JYE

Structure of a Dimeric Lac Repressor with C-terminal Deletion and K84L Substitution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	CCD
Detector	BRANDEIS - B4
Spacegroup name	I 41 2 2
Unit cell lengths	87.007, 87.007, 224.098
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	9.950 - 1.700
R-factor	0.223 *
Rwork	0.223
R-free	0.24100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	lac repressor
RMSD bond length	0.004
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	17.000
High resolution limit [Å]	1.700	1.700
Rmerge	0.063	0.089
Total number of observations	258845 *
Number of reflections	44403
<I/σ(I)>	12.5	7.2
Completeness [%]	93.1	72.7
Redundancy	5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	295	Sodium Acetate, Sodium Citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	sodium acetate	1.3-1.5 (M)
2	1	reservoir	sodium citrate	0.1 (M)