6RCF
ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-15]-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 | 2018-07-11 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.9184 |
Spacegroup name | C 2 2 2 |
Unit cell lengths | 43.384, 141.461, 34.795 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.477 - 1.100 |
R-factor | 0.167 |
Rwork | 0.165 |
R-free | 0.20090 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5n91 |
RMSD bond length | 0.019 |
RMSD bond angle | 1.691 |
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] | 41.477 | 1.170 |
High resolution limit [Å] | 1.100 | 1.100 |
Rmeas | 0.093 | |
Number of reflections | 42538 | 6649 |
<I/σ(I)> | 9.43 | 0.55 |
Completeness [%] | 96.5 | 94.4 |
Redundancy | 6.5 | 6.6 |
CC(1/2) | 0.999 | 0.278 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 300.15 | 1.27M ammonium sulfate, 1000mM ammonium nitrate |