4ZA7
Structure of A. niger Fdc1 in complex with alpha-methyl 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) | 0.9 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 95.940, 64.170, 87.730 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.050 - 1.100 |
| R-factor | 0.13261 |
| Rwork | 0.132 |
| R-free | 0.14048 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4za4 |
| RMSD bond length | 0.028 |
| RMSD bond angle | 2.469 |
| 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] | 87.700 | 1.130 |
| High resolution limit [Å] | 1.100 | 1.100 |
| Rmerge | 0.035 | |
| Number of reflections | 203456 | |
| <I/σ(I)> | 11.2 | 2.4 |
| Completeness [%] | 98.0 | 97.8 |
| Redundancy | 4.2 | 2.7 |
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 |
