4ZAB
Structure of A. niger Fdc1 in complex with alpha-fluoro cinnamic 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 | 2014-08-13 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 95.910, 64.200, 87.790 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.280 - 1.160 |
| R-factor | 0.14661 |
| Rwork | 0.146 |
| R-free | 0.15388 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4za4 |
| RMSD bond length | 0.031 |
| RMSD bond angle | 2.622 |
| 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] | 32.280 | 1.190 |
| High resolution limit [Å] | 1.160 | 1.160 |
| Rmerge | 0.361 | |
| Number of reflections | 175535 | |
| <I/σ(I)> | 12 | 2.3 |
| Completeness [%] | 98.7 | 99.9 |
| Redundancy | 4.2 |
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 |
