4ZA8
Crystal structure of A niger Fdc1 in complex with penta-fluorocinnamic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-08-10 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 96.010, 63.930, 87.840 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 64.810 - 1.060 |
| R-factor | 0.1479 |
| Rwork | 0.147 |
| R-free | 0.16614 |
| RMSD bond length | 0.029 |
| RMSD bond angle | 2.429 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 64.810 | 1.090 |
| High resolution limit [Å] | 1.060 | 1.060 |
| Rpim | 0.039 | 0.339 |
| Number of reflections | 231449 | |
| <I/σ(I)> | 12.8 | 2.5 |
| Completeness [%] | 100.0 | 99.98 |
| Redundancy | 5.2 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 0.2 M potassium thiocyanate, Bis-Tris propane 6.5, 20 % w/v PEG 3350 |
