1RJM

Crystal Structure of MenB (Rv0548c) from Mycobacterium tuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X8C
Synchrotron site	NSLS
Beamline	X8C
Temperature [K]	113
Detector technology	CCD
Collection date	2002-02-08
Detector	ADSC QUANTUM 4
Wavelength(s)	1.1
Spacegroup name	P 43 21 2
Unit cell lengths	80.305, 80.305, 257.553
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.880 - 2.150
Rwork	0.203
R-free	0.23100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dub
RMSD bond length	0.007
RMSD bond angle	1.300
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.230
High resolution limit [Å]	2.150	2.150
Rmerge	0.114	0.772
Number of reflections	47207
<I/σ(I)>	22.6	3
Completeness [%]	100.0	99.93
Redundancy	9.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.9	291.15	MPEG 5K, EPPS , pH 7.9, VAPOR DIFFUSION, HANGING DROP, temperature 291.15K