4PUR

Crystal structure of MglA from Francisella tularensis

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Detector technology	CCD
Collection date	2013-01-26
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979570, 0.956890, 0.979725
Spacegroup name	P 61
Unit cell lengths	104.684, 104.684, 100.045
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	90.659 - 2.950
R-factor	0.1782
Rwork	0.172
R-free	0.22820
Structure solution method	MAD
RMSD bond length	0.007
RMSD bond angle	1.240
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.16)
Phasing software	SOLVE
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	100.044	100.044	3.110
High resolution limit [Å]	2.950	9.330	2.950
Rmerge		0.039	0.347
Total number of observations		1596	6979
Number of reflections	13182
<I/σ(I)>	11.2	12.9	2.2
Completeness [%]	99.8	99.1	100
Redundancy	3.6	3.6	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.6	298	0.1 M TRIS, pH 7.6, 2.55 M DL-Malic acid, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K