4CHI
(R)-selective amine transaminase from Aspergillus fumigatus at 1.27 A resolution
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 | 2013-08-01 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.91841,1.7712 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 102.367, 120.935, 135.464 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.880 - 1.270 |
| R-factor | 0.10447 |
| Rwork | 0.103 |
| R-free | 0.12697 |
| Structure solution method | SAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.842 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | SHELXCDE |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.350 |
| High resolution limit [Å] | 1.270 | 1.270 |
| Rmerge | 0.060 | 0.600 |
| Number of reflections | 426722 | |
| <I/σ(I)> | 13.2 | 2 |
| Completeness [%] | 99.1 | 97.9 |
| Redundancy | 3.38 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 20 MM TRICINE PH 7.5, 0.01 MM PLP |
