2G08

X-ray structure of mouse pyrimidine 5'-nucleotidase type 1, product-transition complex analog with Aluminum fluoride

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	CCD
Collection date	2005-12-18
Detector	BRUKER PROTEUM-R
Wavelength(s)	1.5418
Spacegroup name	P 32
Unit cell lengths	135.044, 135.044, 39.049
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	67.520 - 2.350
R-factor	0.194
Rwork	0.190
R-free	0.26030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2bdu
RMSD bond length	0.015
RMSD bond angle	1.407
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]	67.520	67.520	2.400
High resolution limit [Å]	2.350	6.300	2.350
Rmerge	0.099	0.062	0.736
Number of reflections	33163
<I/σ(I)>	19.01	60.42	1.94
Completeness [%]	99.9	98.7	100
Redundancy	16.69	37.2	6.08

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 20 MINUTES IN WELL SOLUTION WITH 0.060 M magnesium chloride, 0.003 M aluminum chloride, 0.050 M sodium fluoride, 0.010 M uridine, vapor diffusion, hanging drop, temperature 277K