4XI0

MamA 41-end from Desulfovibrio magneticus RS-1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2011-12-02
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.939
Spacegroup name	I 4
Unit cell lengths	151.087, 151.087, 204.903
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.000 - 2.880
R-factor	0.2099
Rwork	0.209
R-free	0.22010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3as5
RMSD bond length	0.024
RMSD bond angle	1.897
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	BALBES
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	22.000	22.000	2.930
High resolution limit [Å]	2.880	7.710	2.880
Rmerge	0.065	0.039	0.608
Total number of observations	320120
Number of reflections	51648
<I/σ(I)>	20.4
Completeness [%]	99.8	96.1	100
Redundancy	6.2	5.6	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.1	277	0.1 M Tris pH 8.1, 0.75 M sodium potassium tartrate and 0.5% polyethylene glycol monomethyl ether 5000