6IKX
UDP-glucose pyrophosphorylase from acinetobacter baumanii
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 5C (4A) |
Synchrotron site | PAL/PLS |
Beamline | 5C (4A) |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-05-02 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97940 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 118.598, 118.598, 108.784 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.720 - 2.200 |
R-factor | 0.2181 |
Rwork | 0.214 |
R-free | 0.29240 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5j49 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.874 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0232) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.240 |
High resolution limit [Å] | 2.200 | 5.970 | 2.200 |
Rmerge | 0.107 | 0.072 | 0.478 |
Rmeas | 0.112 | 0.074 | 0.526 |
Rpim | 0.029 | 0.019 | 0.209 |
Total number of observations | 446063 | ||
Number of reflections | 39722 | 2173 | 1932 |
<I/σ(I)> | 10 | ||
Completeness [%] | 99.4 | 98.5 | 98.4 |
Redundancy | 11.2 | 15.7 | 5.5 |
CC(1/2) | 0.998 | 0.078 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 7.5 | 287 | 1.5M Ammonium citrate, 0.1M BIS-TRIS pH 6.13 and 0.1M NaCl |