3PFT

Crystal Structure of Untagged C54A Mutant Flavin Reductase (DszD) in Complex with FMN From Mycobacterium goodii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2009-10-24
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1
Spacegroup name	I 2 3
Unit cell lengths	131.174, 131.174, 131.174
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	35.058 - 1.601
R-factor	0.1743
Rwork	0.173
R-free	0.19600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.194
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.650
High resolution limit [Å]	1.600	3.560	1.600
Rmerge	0.059	0.028	0.593
Number of reflections	49333
<I/σ(I)>	10.7
Completeness [%]	99.9	99.4	100
Redundancy	15.2	15.2	14.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.1M Bis-Tris, 34% PEG 3350, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K