2G07

X-ray structure of mouse pyrimidine 5'-nucleotidase type 1, phospho-enzyme intermediate analog with Beryllium fluoride

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	BRUKER AXS MICROSTAR
Temperature [K]	100
Detector technology	CCD
Collection date	2006-01-20
Detector	BRUKER PROTEUM-R
Wavelength(s)	1.5418
Spacegroup name	P 32
Unit cell lengths	134.834, 134.834, 38.945
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	67.420 - 2.300
R-factor	0.184
Rwork	0.180
R-free	0.25850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2bdu
RMSD bond length	0.018
RMSD bond angle	1.664
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]	67.420	67.420	2.350
High resolution limit [Å]	2.300	6.350	2.300
Rmerge	0.128	0.076	0.636
Number of reflections	33047
<I/σ(I)>	11.32	32.23	1.99
Completeness [%]	93.9	99.8	83.8
Redundancy	7.7	14.84	4.11

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 beryllium fluoride, 0.050 M sodium fluoride, vapor diffusion, hanging drop, temperature 277K