5EP8

X-Ray Structure of the Complex Pyrimidine-nucleoside phosphorylase from Bacillus subtilis with Sulfate Ion

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	2015-09-09
Detector	PSI PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	P 21 21 21
Unit cell lengths	80.463, 91.350, 109.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	70.220 - 2.660
R-factor	0.2191
Rwork	0.215
R-free	0.29280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3h5q
RMSD bond length	0.007
RMSD bond angle	1.125
Data reduction software	XDS
Data scaling software	SCALA (3.3.21)
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0103)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	70.224	47.056	2.800
High resolution limit [Å]	2.660	8.410	2.660
Rmerge		0.016	0.891
Rmeas	0.065
Rpim	0.030	0.009	0.468
Total number of observations	102504	3037	15080
Number of reflections	23783
<I/σ(I)>	17.7	59.4	1.7
Completeness [%]	99.5	98	99.7
Redundancy	4.3	3.7	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	Sodium acetate, PEG 3350