2G06

X-ray structure of mouse pyrimidine 5'-nucleotidase type 1, with bound magnesium(II)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	CCD
Collection date	2006-01-03
Detector	BRUKER PROTEUM-R
Wavelength(s)	1.5418
Spacegroup name	P 32
Unit cell lengths	134.343, 134.343, 39.152
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	67.170 - 2.250
R-factor	0.158
Rwork	0.155
R-free	0.21930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2bdu
RMSD bond length	0.017
RMSD bond angle	1.474
Data reduction software	SAINT
Data scaling software	SAINT
Phasing software	MOLREP
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	67.170	67.170	2.300
High resolution limit [Å]	2.250	6.100	2.250
Rmerge	0.101	0.059	0.637
Number of reflections	37523
<I/σ(I)>	20.61	67.69	2.67
Completeness [%]	100.0	99.8	100
Redundancy	17.82	42.7	6.47

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	277	PROTEIN SOLUTION (10 MG/ML PROTEIN, 0.005 M BIS TRIS, 0.050 M SODIUM CHLORIDE, 0.003 M SODIUM AZIDE, 0.0003 M TCEP, PH 6.0) MIXED IN A 1:1 RATIO WITH THE WELL SOLUTION (20-25% PEG 8K, 0.10 M PIPES PH 6.5) CRYSTALS SOAKED FOR 15 MINUTES IN WELL SOLUTION WITH 0.005 M magnesium chloride, temperature 277K, VAPOR DIFFUSION, HANGING DROP