3TPY

Crystal structure of M-PMV dUTPase with a mixed population of substrate (dUPNPP) and post-inversion product (dUMP) in the active sites

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X13
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X13
Temperature [K]	100
Detector technology	CCD
Collection date	2003-02-09
Detector	MAR CCD 165 mm
Wavelength(s)	0.8028
Spacegroup name	P 63
Unit cell lengths	60.559, 60.559, 63.635
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 1.750
R-factor	0.1536
Rwork	0.152
R-free	0.18640
Structure solution method	SIRAS
Starting model (for MR)	2d4l
RMSD bond length	0.018
RMSD bond angle	1.957
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.770
High resolution limit [Å]	1.750	1.750
Number of reflections	13399
<I/σ(I)>	44.8	4.4
Completeness [%]	99.8	100
Redundancy	11.4	11.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	PEG 8000, AMMONIUM CHLORIDE, TRIS, PH 8.5, vapor diffusion, hanging drop, temperature 293K
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	PEG 8000, AMMONIUM CHLORIDE, TRIS, PH 8.5, vapor diffusion, hanging drop, temperature 293K