6SNU
Crystal structure of the W60C mutant of the (S)-selective transaminase from Chromobacterium violaceum
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX II BEAMLINE I911-2 |
| Synchrotron site | MAX II |
| Beamline | I911-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-12-10 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.00964 |
| Spacegroup name | P 1 |
| Unit cell lengths | 61.221, 62.196, 118.423 |
| Unit cell angles | 75.03, 81.31, 75.30 |
Refinement procedure
| Resolution | 48.280 - 2.000 |
| R-factor | 0.183 |
| Rwork | 0.181 |
| R-free | 0.21530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4a6t |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.840 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.17) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.510 | 50.510 | 1.830 |
| High resolution limit [Å] | 1.800 | 9.860 | 1.800 |
| Rmerge | 0.180 | 0.057 | 1.187 |
| Rmeas | 0.208 | 0.067 | 1.376 |
| Rpim | 0.105 | 0.034 | 0.694 |
| Total number of observations | 568888 | 3403 | 27590 |
| Number of reflections | 145405 | 901 | 7070 |
| <I/σ(I)> | 13.3 | 38.4 | 2.4 |
| Completeness [%] | 96.5 | 98.4 | 95 |
| Redundancy | 3.9 | 3.8 | 3.9 |
| CC(1/2) | 0.985 | 0.993 | 0.238 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293.15 | 100 mM HEPES pH 7.5, 22.5 % w/v PEG 4000, 350 mM NaCl, 0.1 mM PLP |
