7PGH
NaVAe1/Sp1CTDp (DDM)
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-04-10 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1, 0.97698, 0.97953, 0.95368 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 123.465, 134.696, 155.545 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 14.989 - 4.194 |
| R-factor | 0.3184 |
| Rwork | 0.318 |
| R-free | 0.33690 |
| Structure solution method | MAD |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | CRANK2 |
| Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.000 | 4.342 |
| High resolution limit [Å] | 4.194 | 4.194 |
| Rmerge | 0.065 | 1.000 |
| Number of reflections | 18983 | 1766 |
| <I/σ(I)> | 11.6 | |
| Completeness [%] | 96.5 | |
| Redundancy | 12.9 | |
| CC(1/2) | 0.999 | 0.404 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | Purified NaVAe1Sp1CTDp was concentrated to 13-13.5 mg ml-1 and crystallized in 22% PEG3350, 0.3 M KI, 8 mM sarcosine. Crystals were harvested in 30% PEG3350, 0.3 M KI, 8 mM sarcosine and 1mM Fos-choline 12 (FC-12), Anatrace). |
