6TAJ
Crystal structure of Escherichia coli Orotate Phosphoribosyltransferase in complex with Orotic acid 1.60 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) | 0.979260 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 83.118, 83.118, 122.787 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.380 - 1.600 |
| R-factor | 0.1959 |
| Rwork | 0.195 |
| R-free | 0.22340 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | wwPDB 6TAI |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.853 |
| 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 (1.14rc3_3206) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 49.380 | 49.380 | 1.640 |
| High resolution limit [Å] | 1.600 | 7.140 | 1.600 |
| Rmerge | 0.076 | 0.036 | 2.264 |
| Rmeas | 0.079 | 0.038 | 2.372 |
| Rpim | 0.023 | 0.011 | 0.695 |
| Total number of observations | 720144 | 8233 | 44233 |
| Number of reflections | 57672 | 778 | 3947 |
| <I/σ(I)> | 15.1 | 45.6 | 0.8 |
| Completeness [%] | 99.5 | 99.8 | 93.6 |
| Redundancy | 12.5 | 10.6 | 11.2 |
| CC(1/2) | 0.999 | 0.999 | 0.442 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 2.1 M (NH4)2SO4, 0.2 M NaCl, 0.3 M sodium citrate (pH 4.8) |
