7A5M
ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-17]-OMe
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 | 2019-01-29 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.82656 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 35.150, 61.360, 88.940 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 17.970 - 0.780 |
R-factor | 0.1202 |
Rwork | 0.119 |
R-free | 0.14000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ncg |
RMSD bond length | 0.022 |
RMSD bond angle | 2.377 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.680 | 0.850 |
High resolution limit [Å] | 0.780 | 0.780 |
Rmeas | 0.051 | 2.810 |
Number of reflections | 106735 | 23284 |
<I/σ(I)> | 23.08 | 1.1 |
Completeness [%] | 97.7 | 94.7 |
Redundancy | 19 | 16 |
CC(1/2) | 1.000 | 0.539 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 300.15 | 1.90M ammonium sulfate, 360mM ammonium nitrate |