3TTA

Crystal structure of M-PMV DUTPASE relaxed end-product (dUMP) complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7B
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7B
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2005-02-01
Detector	MAR scanner 345 mm plate
Wavelength(s)	0.8430
Spacegroup name	P 63
Unit cell lengths	60.884, 60.884, 63.867
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.000
R-factor	0.16473
Rwork	0.162
R-free	0.20407
Structure solution method	RIGID BODY REFINEMENT
Starting model (for MR)	2d4l
RMSD bond length	0.019
RMSD bond angle	1.885
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	REFMAC (5.2.0005)
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.100
High resolution limit [Å]	2.000	2.000
Number of reflections	8979
<I/σ(I)>	11.7	2.6
Completeness [%]	97.8	98.7
Redundancy	2.4	2.4

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