7AKI
ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-1]-NH2
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 | 2019-12-14 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.9184 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 34.700, 60.690, 89.060 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.530 - 1.360 |
R-factor | 0.203 |
Rwork | 0.201 |
R-free | 0.23600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5n91 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.643 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.530 | 1.470 |
High resolution limit [Å] | 1.360 | 1.360 |
Rmeas | 0.131 | |
Number of reflections | 20643 | 4246 |
<I/σ(I)> | 11.48 | |
Completeness [%] | 100.0 | 100 |
Redundancy | 14.2 | 14.5 |
CC(1/2) | 0.999 | 0.273 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 300.15 | 1.541M ammonium sulfate, 564mM potassium bromide |