6XVT
ENAH EVH1 in complex with Ac-[2-Cl-F]-PPPPTEDDL-NH2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-07-03 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 1 |
| Unit cell lengths | 34.650, 44.280, 43.160 |
| Unit cell angles | 60.85, 84.04, 84.00 |
Refinement procedure
| Resolution | 38.600 - 1.400 |
| R-factor | 0.203 |
| Rwork | 0.202 |
| R-free | 0.23060 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5ncg |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.631 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.600 | 1.480 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmeas | 0.093 | |
| Number of reflections | 42224 | 6456 |
| <I/σ(I)> | 9.48 | 1 |
| Completeness [%] | 96.0 | 95.2 |
| Redundancy | 3.8 | 3.8 |
| CC(1/2) | 0.998 | 0.479 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293.15 | 2.07M AmSO4, 300mM LiNO3 |
