5SV6

Crystal structure of MxaJ from Methlophaga aminisulfidivorans MPT

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	CCD
Collection date	2010-12-01
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	37.127, 63.761, 99.246
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.728 - 1.920
R-factor	0.1841
Rwork	0.178
R-free	0.23890
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.040
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.950
High resolution limit [Å]	1.920	1.920
Rmerge	0.071	0.254
Number of reflections	18684
<I/σ(I)>	0.69	16.049
Completeness [%]	99.9	100
Redundancy	13.9	13.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	0.2M sodium bromide, 20%(w/v) PEG 3350, 10%(w/v) glycerol, 0.1M Tris HCl