6TAI

Crystal structure of Escherichia coli Orotate Phosphoribosyltransferase with an empty active site at 1.55 Angstrom resolution

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-07-20
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.03076
Spacegroup name	P 21 21 2
Unit cell lengths	75.464, 131.752, 39.520
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	65.480 - 1.551
R-factor	0.1781
Rwork	0.177
R-free	0.20360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	wwPDB 1ORO
RMSD bond length	0.004
RMSD bond angle	0.689
Data reduction software	XDS (Mar 15, 2019 BUILT=20190315)
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER (2.8.2 (svn 8393))
Refinement software	PHENIX (1.17_3644)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	65.569	1.556
High resolution limit [Å]	1.550	1.551
Rmerge	0.044	0.903
Rmeas	0.047	0.997
Rpim	0.018	0.407
Number of reflections	57472	510
<I/σ(I)>	20.8	1.6
Completeness [%]	98.9	89.5
Redundancy	6.8	5.5
CC(1/2)	0.999	0.680

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5	293	20% (w/v) PEG 6000, 0.2 M MgCl2, 0.1 M sodium acetate (pH 5.0)