5N9C
ENAH EVH1 in complex with Ac-[2-Cl-F]-PP-[ProM-1]-OH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-07-03 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.918409 |
| Spacegroup name | P 1 |
| Unit cell lengths | 34.761, 43.386, 43.593 |
| Unit cell angles | 61.40, 84.03, 84.10 |
Refinement procedure
| Resolution | 37.122 - 1.160 |
| R-factor | 0.1401 |
| Rwork | 0.139 |
| R-free | 0.16910 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5n91 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.701 |
| 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 | 1.230 |
| High resolution limit [Å] | 1.160 | 1.160 |
| Rmeas | 0.048 | 0.517 |
| Number of reflections | 71797 | 12432 |
| <I/σ(I)> | 11.24 | 1.86 |
| Completeness [%] | 93.1 | 90 |
| Redundancy | 2 | 1.9 |
| CC(1/2) | 0.999 | 0.826 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293.15 | 1.8M ammonium sulfate, 200mM potassium nitrate |
