6NST
Crystal structure of branched chain amino acid aminotransferase from Pseudomonas aeruginosa
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-02-28 |
Detector | DECTRIS PILATUS3 X 6M |
Wavelength(s) | 0.97929 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 85.837, 129.636, 85.787 |
Unit cell angles | 90.00, 114.25, 90.00 |
Refinement procedure
Resolution | 49.919 - 2.136 |
R-factor | 0.1974 |
Rwork | 0.195 |
R-free | 0.25260 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3u0g |
Data reduction software | HKL-3000 |
Data scaling software | SCALEPACK |
Phasing software | HKL-3000 |
Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.190 |
High resolution limit [Å] | 2.150 | 5.830 | 2.150 |
Rmerge | 0.121 | 0.094 | 0.419 |
Rmeas | 0.135 | 0.105 | 0.532 |
Rpim | 0.059 | 0.045 | 0.323 |
Total number of observations | 342339 | ||
Number of reflections | 83927 | 4670 | 3010 |
<I/σ(I)> | 8.8 | ||
Completeness [%] | 91.4 | 99.3 | 65.6 |
Redundancy | 4.1 | 5.3 | 2.1 |
CC(1/2) | 0.985 | 0.696 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 297 | PEG3350 25%, ammonium acetate 0.2M, Bis-Tris 0.1 M |