4KX3

Structure of murine cytosolic 5'-nucleotidase III complexed with thymidine monophosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2013-03-23
Detector	RAYONIX MX-300
Wavelength(s)	0.97856
Spacegroup name	P 43 2 2
Unit cell lengths	46.872, 46.872, 285.873
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.920 - 2.100
R-factor	0.1561
Rwork	0.153
R-free	0.21650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4fe3
RMSD bond length	0.018
RMSD bond angle	1.759
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.140
High resolution limit [Å]	2.100	5.700	2.100
Rmerge	0.118	0.048	0.586
Number of reflections	19922
<I/σ(I)>	6.9
Completeness [%]	99.9	98.1	100
Redundancy	13.8	11.5	14.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8	283	20% PEG 3350, 0.10 M HEPES, 0.050 M Ammonium Acetate, VAPOR DIFFUSION, temperature 283K, pH 8.0