5N91
ENAH EVH1 in complex with Ac-[2-Cl-F]-PPPP-OH
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 | 2015-04-24 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.918409 |
| Spacegroup name | P 1 |
| Unit cell lengths | 34.910, 43.365, 43.652 |
| Unit cell angles | 61.15, 84.25, 84.33 |
Refinement procedure
| Resolution | 38.164 - 1.490 |
| R-factor | 0.183 |
| Rwork | 0.180 |
| R-free | 0.20070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4my6 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.209 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.200 | 1.580 |
| High resolution limit [Å] | 1.490 | 1.490 |
| Rmeas | 0.055 | 0.965 |
| Number of reflections | 33987 | 5476 |
| <I/σ(I)> | 1.58 | |
| Completeness [%] | 93.0 | 92.6 |
| Redundancy | 2.7 | 2.7 |
| CC(1/2) | 0.595 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293.15 | 1.8M ammonium sulfate, 350mM ammonium nitrate |
