1MI7

Crystal Structure of Domain Swapped trp Aporepressor in 30%(v/v) Isopropanol

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
Collection date	2001-04-24
Detector	CUSTOM-MADE
Wavelength(s)	1.1
Spacegroup name	P 61 2 2
Unit cell lengths	85.310, 85.310, 113.968
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	50.000 * - 2.500
R-factor	0.25505
Rwork	0.253
R-free	0.31500 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2WRP BIOLOGICAL DIMER
RMSD bond length	0.016 *
RMSD bond angle	1.580 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.600
High resolution limit [Å]	2.500	2.500
Rmerge	0.052	0.169
Total number of observations	67359 *
Number of reflections	8304	526 *
<I/σ(I)>	24.1	2.6
Completeness [%]	92.5	61
Redundancy	8.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	295	100 mM Na HEPES, 100 mM sodium chloride, 30%(v/v) isopropanol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	5-20 (mg/ml)
2	1	reservoir	isopropanol	30-35 (%(v/v))
3	1	reservoir	sodium HEPES	100 (mM)	pH7.5
4	1	reservoir		100 (mM)