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 |