6TAK

Crystal structure of Escherichia coli Orotate Phosphoribosyltransferase in complex with Orotic acid and Sulfate at 1.25 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	2019-07-21
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97926
Spacegroup name	P 21 21 21
Unit cell lengths	53.658, 69.469, 104.383
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.720 - 1.250
R-factor	0.1816
Rwork	0.181
R-free	0.20590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	wwPDB 6TAI
RMSD bond length	0.012
RMSD bond angle	1.213
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]	47.720	1.280
High resolution limit [Å]	1.250	1.250
Rmerge	0.048	1.386
Rmeas	0.054	1.722
Rpim	0.025	1.001
Number of reflections	452457	12799
<I/σ(I)>	13.2
Completeness [%]	95.9	68.8
Redundancy	4.3	2.3
CC(1/2)	0.999	0.292

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.8	293	2.1 M (NH4)2SO4, 0.2 M NaCl, 0.3 M sodium citrate (pH 4.8)