4NY7
Bond length analysis of the PqqC Y175F mutant structure shows evidence for bound PQQ in the reduced form
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.934 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 70.998, 116.020, 67.520 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.440 |
| R-factor | 0.1248 |
| R-free | 0.18210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3hlx |
| RMSD bond length | 0.045 |
| RMSD bond angle | 0.038 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHENIX |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.720 | 1.510 |
| High resolution limit [Å] | 1.430 | 1.430 |
| Rmerge | 0.056 | 0.374 |
| Number of reflections | 100186 | |
| <I/σ(I)> | 21 | 4.3 |
| Completeness [%] | 98.2 | 0.903 |
| Redundancy | 6.9 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.8 | 298 | 0.2M ammonium sulfate, 0.1M Bis-Tris pH 6.5, 25% w/v poly- ethylene glycol 3,350, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
