1NRG

Structure and Properties of Recombinant Human Pyridoxine-5'-Phosphate Oxidase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2002-10-16
Detector	RIGAKU RAXIS II
Wavelength(s)	1.5418
Spacegroup name	P 31 2 1
Unit cell lengths	82.747, 82.747, 59.327
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.700 - 1.950
R-factor	0.192
Rwork	0.192
R-free	0.25200 *
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	E. coli PNPOx structure PDB code 1G79
RMSD bond length	0.014
RMSD bond angle	24.100 *
Data reduction software	bioteX
Data scaling software	bioteX
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	71.000 *	2.000
High resolution limit [Å]	1.950	1.950
Rmerge	0.065	0.366
Total number of observations	94811 *
Number of reflections	16966	1226 *
<I/σ(I)>	14.7	1.63
Completeness [%]	94.9	95.8
Redundancy	5.59	3.87

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	298	potassium/sodium tartarate, potassium phosphate, 2-mercaptoethanol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	15 (mg/ml)
2	1	drop	potassium sodium tartrate tetrahydrate	0.35 (M)
3	1	drop	PLP	4.2 (mM)
4	1	drop	2-mercaptoethanol	2.5 (mM)
5	1	drop	potassium phosphate	50 (mM)	pH7.5
6	1	reservoir	potassium sodium tartrate tetrahydrate	0.7 (M)