5NCF
ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-4]-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 | 2014-02-14 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.918409 |
Spacegroup name | P 1 |
Unit cell lengths | 34.715, 43.364, 44.181 |
Unit cell angles | 60.97, 84.19, 84.16 |
Refinement procedure
Resolution | 38.560 - 1.400 |
R-factor | 0.2753 |
Rwork | 0.219 |
R-free | 0.25750 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5n9c |
RMSD bond length | 0.009 |
RMSD bond angle | 1.156 |
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] | 38.560 | 1.480 |
High resolution limit [Å] | 1.400 | 1.400 |
Rmeas | 0.073 | 0.995 |
Number of reflections | 41864 | 6668 |
<I/σ(I)> | 10.39 | 1.12 |
Completeness [%] | 94.6 | 93.3 |
Redundancy | 2.3 | 2.3 |
CC(1/2) | 0.999 | 0.602 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293.15 | 1.9M ammonium sulfate, 200mM ammonium nitrate |