9M9Z

Crystal structure of MctB from Mycobacterium tuberculosis at 2.3 Angstroms resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2010-01-26
Detector	MAR CCD 300 mm
Wavelength(s)	0.988
Spacegroup name	P 4 2 2
Unit cell lengths	122.000, 122.000, 88.882
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.500 - 2.310
R-factor	0.221
Rwork	0.218
R-free	0.26100
Structure solution method	MAD
RMSD bond length	0.007
RMSD bond angle	0.886
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.340
High resolution limit [Å]	2.300	2.300
Rmerge	0.079	0.423
Number of reflections	30356	850
<I/σ(I)>	64.4	4.2
Completeness [%]	93.9	56.5
Redundancy	15	9.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	sodium acetate, ammonium sulfate