5OLN

X-Ray Structure of the Complex Pyrimidine-nucleoside phosphorylase from Bacillus subtilis at 1.88 A

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	2016-04-13
Detector	PSI PILATUS 6M
Wavelength(s)	0.9184
Spacegroup name	P 21 21 21
Unit cell lengths	64.368, 93.010, 139.854
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.505 - 1.880
R-factor	0.2014
Rwork	0.200
R-free	0.23920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ep8
Data reduction software	XDS
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER (2.6.1)
Refinement software	PHENIX (1.8.1_1168)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	77.447	46.618	1.980
High resolution limit [Å]	1.880	5.950	1.880
Rmerge		0.067	1.055
Rmeas	0.207	0.070	1.103
Rpim	0.062	0.022	0.320
Total number of observations	755376	23166	112933
Number of reflections	67839	2379	9725
<I/σ(I)>	8.5	21.9	2.4
Completeness [%]	98.4	99.5	97.7
Redundancy	11.1	9.7	11.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	293	0.2 M Amonium acetate, 0.1 M Bis-tris