9JGC
Crystal structure of Nep1 in complex with adenosine from Pyrococcus horikoshii OT3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2023-04-20 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 113.410, 113.410, 102.180 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 70.810 - 2.010 |
| R-factor | 0.16042 |
| Rwork | 0.158 |
| R-free | 0.20933 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.472 |
| Data reduction software | MOSFLM (7.4.0) |
| Data scaling software | Aimless (0.7.9) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 70.810 | 2.060 |
| High resolution limit [Å] | 2.010 | 2.010 |
| Rmerge | 0.096 | 0.484 |
| Rmeas | 0.100 | 0.504 |
| Rpim | 0.026 | 0.137 |
| Total number of observations | 246585 | 16745 |
| Number of reflections | 17065 | 1245 |
| <I/σ(I)> | 20.2 | 6 |
| Completeness [%] | 100.0 | |
| Redundancy | 14.4 | 13.4 |
| CC(1/2) | 0.999 | 0.965 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 7.5 | 293 | 0.1M sodium chloride, 0.1M HEPES pH 7.5, 1.6M ammonium sulfate |
