3FTJ

Crystal structure of the periplasmic region of MacB from Actinobacillus actinomycetemcomitans

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 4A
Synchrotron site	PAL/PLS
Beamline	4A
Temperature [K]	173
Detector technology	CCD
Collection date	2008-05-05
Detector	ADSC QUANTUM 315
Wavelength(s)	1.0000
Spacegroup name	H 3 2
Unit cell lengths	108.444, 108.444, 92.892
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.158 - 1.999
R-factor	0.202
Rwork	0.200
R-free	0.25000
Structure solution method	MAD
RMSD bond length	0.006
RMSD bond angle	0.958
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	CNS (1.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.080	0.321
Number of reflections	13829
<I/σ(I)>	17.6	2.1
Completeness [%]	96.3	76
Redundancy	5.2	2.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	287	0.1M HEPES pH 7.5, 1% PEG 400, 2.0M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 287K
1	VAPOR DIFFUSION, HANGING DROP	7.5	287	0.1M HEPES pH 7.5, 1% PEG 400, 2.0M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 287K