6KG3
Crystal structure of Nicotinic acid mononucleotide adenylyltransferase mutant P22K/Y84V/Y118D/C132Q/W176F from Escherichia coli
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-12-27 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.9798 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 82.912, 129.176, 105.320 |
| Unit cell angles | 90.00, 103.18, 90.00 |
Refinement procedure
| Resolution | 45.470 - 3.080 |
| R-factor | 0.2422 |
| Rwork | 0.241 |
| R-free | 0.26760 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1k4k |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.467 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.150 |
| High resolution limit [Å] | 3.080 | 3.080 |
| Rmerge | 0.135 | 0.557 |
| Number of reflections | 37906 | 2771 |
| <I/σ(I)> | 9.05 | 2.5 |
| Completeness [%] | 97.5 | 69.33 |
| Redundancy | 4.5 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 300 | 1.4M Sodium phosphate monobasic monohydrate-Potassium phosphate dibasic, pH 8.1 |
