5WPH
Crystal structure of ArsN, N-acetyltransferase with substrate AST from Pseudomonas putida KT2440
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-07-07 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 185.273, 141.735, 54.551 |
| Unit cell angles | 90.00, 90.59, 90.00 |
Refinement procedure
| Resolution | 49.020 - 2.190 |
| R-factor | 0.18257 |
| Rwork | 0.180 |
| R-free | 0.23225 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5jtf |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.477 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.230 |
| High resolution limit [Å] | 2.190 | 2.190 |
| Rmeas | 0.161 | 0.739 |
| Rpim | 0.059 | 0.335 |
| Number of reflections | 72209 | 3416 |
| <I/σ(I)> | 12 | 1.9 |
| Completeness [%] | 99.4 | 95.7 |
| Redundancy | 7.3 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 293 | 1.5 M Na formate, 0.1 M Na acetate |
