3B60

Crystal Structure of MsbA from Salmonella typhimurium with AMPPNP, higher resolution form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2005-09-01
Detector	ADSC QUANTUM 210
Wavelength(s)	0.98
Spacegroup name	C 1 2 1
Unit cell lengths	249.641, 119.904, 168.800
Unit cell angles	90.00, 120.61, 90.00

Refinement procedure

Resolution	20.000 - 3.700
Rwork	0.307
R-free	0.34300
RMSD bond length	0.007
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	3.930
High resolution limit [Å]	3.700	3.700
Number of reflections	40105
Completeness [%]	87.7	76.7
Redundancy	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277	100mM NaCl, 18-24% PEG350 MME, 10 mM AMPPNP, 2.5mM MgCl2, and 0.05% beta-UDM, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
1	VAPOR DIFFUSION, SITTING DROP	8.5	277	100mM NaCl, 18-24% PEG350 MME, 10 mM AMPPNP, 2.5mM MgCl2, and 0.05% beta-UDM, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K