7ABO
Structure of the N318H variant of the reversible pyrrole-2-carboxylic acid decarboxylase PA0254/HudA in complex with FMN
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 | 2017-05-02 |
| Detector | DECTRIS PILATUS3 R CdTe 300K |
| Wavelength(s) | 0.9762 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 107.880, 55.570, 198.880 |
| Unit cell angles | 90.00, 100.00, 90.00 |
Refinement procedure
| Resolution | 40.928 - 1.950 |
| R-factor | 0.216 |
| Rwork | 0.214 |
| R-free | 0.24610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4iws |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.682 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.16_3549: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.750 | 1.980 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmeas | 0.081 | 1.025 |
| Number of reflections | 168873 | 8399 |
| <I/σ(I)> | 11.7 | 1.4 |
| Completeness [%] | 99.2 | 99.1 |
| Redundancy | 3.2 | 3 |
| CC(1/2) | 1.000 | 0.500 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.1 M amino acids, 0.1 M NaHEPES/MOPS buffer pH 7.5, 20% v/v glycerol and 10% w/v PEG 4000 |
