5U22
Structure of N2152 from Neocallimastix frontalis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-10-04 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 36.986, 104.793, 49.445 |
| Unit cell angles | 90.00, 110.06, 90.00 |
Refinement procedure
| Resolution | 28.955 - 1.748 |
| R-factor | 0.1576 |
| Rwork | 0.156 |
| R-free | 0.19420 |
| Structure solution method | SAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.861 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | SHELX |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 1.780 |
| High resolution limit [Å] | 1.748 | 4.740 | 1.750 |
| Rmerge | 0.104 | 0.098 | 0.381 |
| Number of reflections | 35446 | ||
| <I/σ(I)> | 8.3 | ||
| Completeness [%] | 99.5 | 99.3 | 98.8 |
| Redundancy | 4.8 | 6 | 3.1 |
| CC(1/2) | 0.986 | 0.764 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | PEG 3350, Bis-Tris, Sodium Iodide |
