5MLQ
Structure of CDPS from Nocardia brasiliensis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 1 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-03-31 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 144.287, 144.287, 103.504 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.150 - 3.180 |
| R-factor | 0.169 |
| Rwork | 0.168 |
| R-free | 0.19400 |
| Structure solution method | SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.130 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | SOLVE |
| Refinement software | BUSTER (2.10.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.150 | 3.370 |
| High resolution limit [Å] | 3.180 | 3.180 |
| Rmerge | 0.094 | 1.250 |
| Number of reflections | 18802 | |
| <I/σ(I)> | 19.04 | 2.05 |
| Completeness [%] | 99.5 | 97.6 |
| Redundancy | 12.9 | 12.8 |
| CC(1/2) | 0.999 | 0.846 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 278 | PEG3350 22% Tri-ammonium citrate 0.2M pH = 7 |
