1L2T

Dimeric Structure of MJ0796, a Bacterial ABC Transporter Cassette

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X12C
Synchrotron site	NSLS
Beamline	X12C
Temperature [K]	100
Detector technology	CCD
Collection date	2001-11-01
Detector	BRANDEIS - B1
Wavelength(s)	1.0
Spacegroup name	C 2 2 21
Unit cell lengths	80.887, 106.311, 116.941
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.900
Rwork	0.185
R-free	0.25100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	23.600 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (3.851)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.114 *
Number of reflections	39885
Completeness [%]	100.0 *	87.8
Redundancy	6.9 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8 *	295	PEG 4000, Sodium Hepes, Isopropanol, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 295K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG4000	18 (%(w/v))
2	1	reservoir	isopropanol	10 (%)
3	1	reservoir	sodium HEPES	100 (mM)	pH7.0
4	1	drop	protein	3 (mg/ml)
5	1	drop	sodium-EDTA	1 (mM)
6	1	drop	glycerol	10 (%)
7	1	drop	dithiothreitol	4 (mM)
8	1	drop	Tris-HCl	10 (mM)	pH8.0