3VVV
Skich domain of NDP52
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Wavelength(s) | 0.9395 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 36.610, 37.460, 90.400 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 23.266 - 1.350 |
| R-factor | 0.1562 |
| Rwork | 0.155 |
| R-free | 0.18910 |
| Structure solution method | SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.272 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | SHARP |
| Refinement software | PHENIX (dev_723) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 26.180 | 26.180 | 1.420 |
| High resolution limit [Å] | 1.350 | 4.270 | 1.350 |
| Rmerge | 0.023 | 0.559 | |
| Number of reflections | 27862 | ||
| <I/σ(I)> | 28.3 | 2.8 | |
| Completeness [%] | 99.3 | 93.8 | 99.9 |
| Redundancy | 3.4 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.5 | 293 | 24% PEG4000, 0.1M Tris , pH 8.5, VAPOR DIFFUSION, temperature 293K |
