6TIB
Structure of A. niger Fdc I327S variant in complex with 2 naphthoic acid
This is a non-PDB format compatible entry.
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 | 2018-07-14 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9159 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 95.642, 63.592, 87.741 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 87.740 - 1.070 |
| Rwork | 0.124 |
| R-free | 0.15190 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 4zaa |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.148 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 87.740 | 1.170 |
| High resolution limit [Å] | 1.070 | 1.070 |
| Rmeas | 0.158 | 1.127 |
| Number of reflections | 169880 | 638 |
| <I/σ(I)> | 6.5 | 1.6 |
| Completeness [%] | 95.6 | 73.9 |
| Redundancy | 6.5 | |
| CC(1/2) | 1.000 | 0.700 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M potassium thiocyanate, Bis-Tris propane pH 6.5, 20% w/v PEG 3350 |
