6RCJ
ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-15]-OMe
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 | 2016-12-10 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.9184 |
Spacegroup name | C 2 2 2 |
Unit cell lengths | 43.995, 141.524, 34.726 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.012 - 1.350 |
R-factor | 0.1728 |
Rwork | 0.171 |
R-free | 0.20170 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5n91 |
RMSD bond length | 0.020 |
RMSD bond angle | 1.877 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((1.14_3260: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.012 | 1.430 |
High resolution limit [Å] | 1.350 | 1.350 |
Rmeas | 0.080 | |
Number of reflections | 24264 | 3860 |
<I/σ(I)> | 13.69 | 1.21 |
Completeness [%] | 99.4 | 99.5 |
Redundancy | 6.5 | 6.4 |
CC(1/2) | 0.999 | 0.563 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 300.15 | 1.8M ammonium sulfate, 240mM ammonium nitrate |