5N91
ENAH EVH1 in complex with Ac-[2-Cl-F]-PPPP-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 | 2015-04-24 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.918409 |
Spacegroup name | P 1 |
Unit cell lengths | 34.910, 43.365, 43.652 |
Unit cell angles | 61.15, 84.25, 84.33 |
Refinement procedure
Resolution | 38.164 - 1.490 |
R-factor | 0.183 |
Rwork | 0.180 |
R-free | 0.20070 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4my6 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.209 |
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] | 38.200 | 1.580 |
High resolution limit [Å] | 1.490 | 1.490 |
Rmeas | 0.055 | 0.965 |
Number of reflections | 33987 | 5476 |
<I/σ(I)> | 1.58 | |
Completeness [%] | 93.0 | 92.6 |
Redundancy | 2.7 | 2.7 |
CC(1/2) | 0.595 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293.15 | 1.8M ammonium sulfate, 350mM ammonium nitrate |