1QE5

PURINE NUCLEOSIDE PHOSPHORYLASE FROM CELLULOMONAS SP. IN COMPLEX WITH PHOSPHATE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Temperature [K]	277
Detector technology	IMAGE PLATE
Collection date	1997-10-15
Detector	MARRESEARCH
Spacegroup name	P 21 21 21
Unit cell lengths	64.120, 108.900, 119.300
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.000 - 2.200
Rwork	0.200
R-free	0.26000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1vfn
RMSD bond length	0.018
RMSD bond angle	24.820 *
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.000	2.240
High resolution limit [Å]	2.200	2.200
Rmerge	0.075	0.299
Number of reflections	37330
<I/σ(I)>	13.3
Completeness [%]	86.0	80 *
Redundancy	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	7 *	298	PEG 4000, cacodylate, Ca-acetate, sodium phosphate, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	1	PEG4000	8-15 (%(w/v))
2	1	1	cacodylate	50 (mM)
3	1	1	calcium acetate	100 (mM)
4	1	2	protein	7-11 (mg/ml)
5	1	2	sodium phosphate	6-25 (mM)