1G9X

CHARACTERIZATION OF THE TWINNING STRUCTURE OF MJ1267, AN ATP-BINDING CASSETTE OF AN ABC TRANSPORTER

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1998-06-28
Detector	RIGAKU RAXIS IV
Spacegroup name	P 31
Unit cell lengths	117.310, 117.310, 42.190
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 * - 2.600
R-factor	0.153
Rwork	0.153
R-free	0.28800 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	coordination of C2 MJ1267
RMSD bond length	0.012 *
RMSD bond angle	1.800 *
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]	20.000 *	2.760
High resolution limit [Å]	2.600	2.600
Rmerge	0.069 *	0.191 *
Number of reflections	18662
<I/σ(I)>	8.4
Completeness [%]	92.6 *	90.7 *
Redundancy	1.50 *	1.43 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.8 *	310 *	Tris/HCl, PEG 2000MME, Glycerol, Mg-ADP, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	36 (mg/ml)
10	1	reservoir	PEG3350	15-20 (%(w/v))
11	1	reservoir	ethylene glycol	15 (%(v/v))
12	1	reservoir	glycerol	10 (%(v/v))
13	1	reservoir	dithiothreitol	0.1 (mM)
14	1	reservoir	MES	100 (mM)	pH5.9
2	1	drop	Tris-HCl	10 (mM)	pH8.8
3	1	drop	Mg-ADP	20 (mM)
4	1	drop	PEG3350	16 (%(w/v))
5	1	drop	ethylene glycol	30 (%(v/v))
6	1	drop	glycerol	20 (%(v/v))
7	1	drop		4 (mM)
8	1	drop	dithiothreitol	0.2 (mM)
9	1	drop	MES	200 (mM)	pH5.9