4TS3

Wild type E. Coli purine nucleoside phosphorylase with 2 FMC molecules in active sites

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	OTHER
Temperature [K]	100
Detector technology	CCD
Collection date	2012-09-23
Detector	OXFORD RUBY CCD
Wavelength(s)	1.54128
Spacegroup name	P 21 21 21
Unit cell lengths	61.921, 123.373, 189.051
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.620 - 2.300
R-factor	0.1795
Rwork	0.176
R-free	0.23930
RMSD bond length	0.007
RMSD bond angle	1.132
Data scaling software	SCALA
Refinement software	PHENIX ((phenix.refine: 1.8.2_1309))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.620	28.620	2.420
High resolution limit [Å]	2.300	7.270	2.300
Rmerge	0.114	0.050	0.280
Rmeas	0.130
Total number of observations	241622	10928	21277
Number of reflections	64926
<I/σ(I)>	8.6633
Completeness [%]	99.7	96.84	99.01
Redundancy	3.72	5.03	2.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.2	291	50 mM citric buffer, 34 % ammonium sulphate