6RD2
ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-1]-TEDEL-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 | 2019-01-25 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 148.390, 44.000, 34.830 |
| Unit cell angles | 90.00, 102.17, 90.00 |
Refinement procedure
| Resolution | 42.106 - 1.000 |
| R-factor | 0.199 |
| Rwork | 0.198 |
| R-free | 0.22400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5nd0 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.580 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.14_3260: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.106 | 1.060 |
| High resolution limit [Å] | 1.000 | 1.000 |
| Rmeas | 0.239 | |
| Number of reflections | 118323 | 18886 |
| <I/σ(I)> | 5.26 | |
| Completeness [%] | 99.9 | 99.7 |
| Redundancy | 14.6 | 13.1 |
| CC(1/2) | 0.998 | 0.144 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 300.15 | 1.41M ammonium sulfate, 1000mM ammonium nitrate |
