7ABN
Structure of the reversible pyrrole-2-carboxylic acid decarboxylase PA0254/HudA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-05-07 |
| Detector | DECTRIS PILATUS3 R CdTe 300K |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 107.810, 55.480, 199.530 |
| Unit cell angles | 90.00, 99.92, 90.00 |
Refinement procedure
| Resolution | 53.640 - 1.650 |
| R-factor | 0.20311 |
| Rwork | 0.201 |
| R-free | 0.23475 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4iws |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.124 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.000 | 1.670 |
| High resolution limit [Å] | 1.630 | 1.630 |
| Rmeas | 0.093 | 0.812 |
| Number of reflections | 279939 | 18328 |
| <I/σ(I)> | 8.6 | 1.5 |
| Completeness [%] | 96.4 | 86 |
| Redundancy | 3.1 | |
| CC(1/2) | 1.000 | 0.700 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.12 M alcohols, 0.1 M imidazole/MES pH 6.5, 20% v/v glycerol and 10% w/v PEG 4000. |
