6S54
Transaminase from Pseudomonas fluorescens
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-02-11 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 92.022, 94.544, 242.218 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 88.073 - 2.210 |
| R-factor | 0.2144 |
| Rwork | 0.213 |
| R-free | 0.24440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5lha |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.3) |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 92.050 | 92.050 | 2.270 |
| High resolution limit [Å] | 2.210 | 9.880 | 2.210 |
| Rmerge | 0.309 | 0.133 | 1.700 |
| Rmeas | 0.336 | 0.146 | 1.849 |
| Rpim | 0.131 | 0.058 | 0.723 |
| Total number of observations | 692500 | 8082 | 50050 |
| Number of reflections | 106548 | 1371 | 7759 |
| <I/σ(I)> | 3.9 | 10.2 | 1 |
| Completeness [%] | 100.0 | 100 | 100 |
| Redundancy | 6.5 | 5.9 | 6.5 |
| CC(1/2) | 0.973 | 0.934 | 0.589 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 293.15 | 0.1 M sodium citrate, pH 5.6, 12% w/v PEG 6000, 0.1 M lithium sulfate |
