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) |