9T4Z
Crystal structure of PpNeuA CMP-Kdn synthetase
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 | 2021-09-11 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.432, 47.782, 87.850 |
| Unit cell angles | 90.00, 102.12, 90.00 |
Refinement procedure
| Resolution | 51.610 - 1.800 |
| R-factor | 0.1882 |
| Rwork | 0.187 |
| R-free | 0.21540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.900 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.21.2_5419) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 51.610 | 1.700 |
| High resolution limit [Å] | 1.670 | 1.670 |
| Rpim | 0.054 | |
| Number of reflections | 51291 | 2211 |
| <I/σ(I)> | 7.92 | 0.43 |
| Completeness [%] | 95.5 | |
| Redundancy | 7 | |
| CC(1/2) | 0.997 | 0.309 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.2 M Calcium chloride dihydrate 0.1 M Tris 8.0 20 % w/v PEG 6000 |
