6S4G
Crystal structure of the omega transaminase from Chromobacterium violaceum in complex with PMP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-05-20 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.984 |
| Spacegroup name | P 1 |
| Unit cell lengths | 60.909, 61.973, 118.810 |
| Unit cell angles | 75.07, 81.31, 75.30 |
Refinement procedure
| Resolution | 48.090 - 1.670 |
| R-factor | 0.1618 |
| Rwork | 0.161 |
| R-free | 0.18470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4a6t |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.756 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.27) |
| Phasing software | PHASER (2.6.1) |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.040 | 48.040 | 1.700 |
| High resolution limit [Å] | 1.670 | 9.140 | 1.670 |
| Rmerge | 0.091 | 0.067 | 0.646 |
| Rmeas | 0.111 | 0.077 | 0.810 |
| Rpim | 0.061 | 0.038 | 0.480 |
| Total number of observations | 413858 | 2771 | 18361 |
| Number of reflections | 172591 | 984 | 8079 |
| <I/σ(I)> | 5.3 | 10.9 | 1.4 |
| Completeness [%] | 91.9 | 86.1 | 87 |
| Redundancy | 2.4 | 2.8 | 2.3 |
| CC(1/2) | 0.993 | 0.995 | 0.654 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293.15 | Drops of 200 nl protein at 7.5 mg/ml mixed with 200 nl of 100 mM HEPES pH 7.5, 350 mM NaCl, 22.5 % w/v PEG 4000, 0.1 mM PLP |
