6EVC
Structure of E282Q A. niger Fdc1 in complex with pentafluoro-cinnamic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-02-23 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | .92 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 96.240, 64.330, 88.100 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.050 - 1.180 |
| R-factor | 0.14182 |
| Rwork | 0.141 |
| R-free | 0.15765 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4za4 |
| RMSD bond length | 0.030 |
| RMSD bond angle | 2.632 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.050 | 1.222 |
| High resolution limit [Å] | 1.180 | 1.180 |
| Rmeas | 0.634 | |
| Number of reflections | 175886 | 15202 |
| <I/σ(I)> | 17.08 | |
| Completeness [%] | 98.0 | |
| Redundancy | 6.2 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.2 M potassium thiocyanate, Bis-Tris propane pH 6.5, 20% w/v PEG 3350 |
