3C8N

Crystal structure of apo-FGD1 from Mycobacterium tuberculosis

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	110
Detector technology	CCD
Collection date	2007-02-15
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97929, 0.91162, 0.97941
Spacegroup name	P 1 21 1
Unit cell lengths	80.954, 89.133, 90.859
Unit cell angles	90.00, 91.64, 90.00

Refinement procedure

Resolution	40.100 - 1.900
R-factor	0.214
Rwork	0.212
R-free	0.25500
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	1.541
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SHARP
Refinement software	REFMAC (5.3.0008)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.100	1.950
High resolution limit [Å]	1.900	1.900
Rmerge	0.062	0.552
Number of reflections	101311
<I/σ(I)>	13.5	1.7
Completeness [%]	99.6	98
Redundancy	3.5	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	1.4 M Tri-sodium citrate, 0.1% Dioxane, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	1.4 M Tri-sodium citrate, 0.1% Dioxane, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	1.4 M Tri-sodium citrate, 0.1% Dioxane, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K