6ECI

Structure of the FAD binding protein MSMEG_5243 from Mycobacterium smegmatis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	Xenocs GeniX 3D Cu HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2014-01-14
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 2 21 21
Unit cell lengths	80.268, 186.039, 195.388
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.599 - 2.690
R-factor	0.2117
Rwork	0.209
R-free	0.25870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3fhk
Data reduction software	XDS
Data scaling software	Aimless (0.3.11)
Phasing software	PHASER
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.600	2.740
High resolution limit [Å]	2.690	2.690
Rmerge	0.215	1.444
Rmeas	0.231	1.552
Rpim	0.084	0.565
Number of reflections	82043	4447
<I/σ(I)>	10.5
Completeness [%]	99.9	99.9
Redundancy	7.4	7.3
CC(1/2)	0.993	0.551

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	3.5	291.15	20% polyethylene glycol 1500, 4% 2-methyl-2,4-pentanediol and 0.1 M citric acid pH 3.5