1VHN

Crystal structure of a putative flavin oxidoreductase with flavin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 32-ID
Synchrotron site	APS
Beamline	32-ID
Detector technology	CCD
Detector	MARRESEARCH
Wavelength(s)	0.9795
Spacegroup name	C 2 2 21
Unit cell lengths	80.279, 96.442, 93.139
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.850 - 1.590
R-factor	0.187 *
Rwork	0.189
R-free	0.21500 *
Structure solution method	Se-Met SAD phasing
RMSD bond length	0.010 *
RMSD bond angle	1.880 *
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	REFMAC (4.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.850	1.680
High resolution limit [Å]	1.590	1.590
Rmerge	0.069	0.417
Total number of observations	338732 *
Number of reflections	48147
<I/σ(I)>	14.5	3.7
Completeness [%]	99.2	94.5
Redundancy	7. *	5.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.5 *	21 *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	6 (mg/ml)
10	1	reservoir	MES	100 (mM)	pH5.5
2	1	drop	HEPES	10 (mM)	pH7.5
3	1	drop		150 (mM)
4	1	drop	beta-mercaptoethanol	1 (mM)
5	1	drop	methionine	10 (mM)
6	1	drop	glycerol	10 (%)
7	1	reservoir	PEG4000	15 (%(w/v))
8	1	reservoir	ammonium sulfate	300 (mM)
9	1	reservoir	beta-mercaptoethanol	28.4 (mM)