4TS9

Crystal structure of wild type E. Coli purine nucleoside phosphorylase with 6 FMC molecules

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-07-03
Detector	PSI PILATUS 6M
Wavelength(s)	0.97977
Spacegroup name	P 61 2 2
Unit cell lengths	120.625, 120.625, 240.006
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.160 - 1.770
R-factor	0.1571
Rwork	0.156
R-free	0.17700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1k9s
RMSD bond length	0.007
RMSD bond angle	1.224
Data reduction software	XDS
Data scaling software	XSCALE
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.170		1.870
High resolution limit [Å]	1.770	5.270	1.770
Rmerge	0.085	0.041	0.458
Rmeas	0.087	0.041	0.464
Total number of observations	3871879
Number of reflections	98266	4192	13865
<I/σ(I)>	42.19	101.1	9.6
Completeness [%]	97.3	99.8	86.4
Redundancy	39

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.2	291	50 mM citric buffer, 32 % ammonium sulphate