1DNL

X-RAY STRUCTURE OF ESCHERICHIA COLI PYRIDOXINE 5'-PHOSPHATE OXIDASE COMPLEXED WITH FMN AT 1.8 ANGSTROM RESOLUTION

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	1999-01-01
Detector	APS
Spacegroup name	P 31 2 1
Unit cell lengths	63.710, 63.710, 125.250
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	55.000 - 1.800
R-factor	0.212
Rwork	0.210
R-free	0.23300
RMSD bond length	0.010
RMSD bond angle	23.300 *
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	55.000	1.860
High resolution limit [Å]	1.800	1.800
Rmerge	0.075	0.357
Total number of observations	262844 *
Number of reflections	26980
<I/σ(I)>	7.6
Completeness [%]	96.3	74.2
Redundancy	9.7	5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5 *	22 *	AMMONIUM FORMATE, HEPES OR MES, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	4 (mg/ml)
2	1	drop	ammonium formate	0.65-0.9 (M)
3	1	drop	2-mercaptoethanol	2.5 (mM)
4	1	drop	potassium phosphate	50 (mM)
5	1	drop	HEPES/NaOH	50 (mM)
6	1	reservoir	ammonium formate	1.3-1.8 (M)
7	1	reservoir	HEPES/NaOH	100 (mM)