6XPN
Z-loop Deletion Mutant of AztC from Paracoccus denitrificans
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-05-21 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 62.292, 105.042, 64.245 |
| Unit cell angles | 90.00, 110.77, 90.00 |
Refinement procedure
| Resolution | 39.540 - 2.260 |
| R-factor | 0.1754 |
| Rwork | 0.173 |
| R-free | 0.20840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5w57 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.200 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 46.630 | 46.630 | 2.330 |
| High resolution limit [Å] | 2.260 | 9.040 | 2.260 |
| Rmerge | 0.036 | 0.025 | 0.589 |
| Rmeas | 0.042 | 0.029 | 0.689 |
| Rpim | 0.021 | 0.015 | 0.353 |
| Total number of observations | 133590 | 2011 | 12225 |
| Number of reflections | 36075 | 575 | 3323 |
| <I/σ(I)> | 18.5 | 47.3 | 2.3 |
| Completeness [%] | 99.5 | 96.9 | 99.9 |
| Redundancy | 3.7 | 3.5 | 3.7 |
| CC(1/2) | 0.999 | 0.999 | 0.840 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 7 | 293 | Protein at 26 mg/mL was combined in a 1:1 ratio with crystallization solution containing 0.1 M bis-tris propane pH 7.0 and 4.1 M sodium formate. |
