5NBF
ENAH EVH1 in complex with Ac-[2-Cl-F]-[ProM-2]-[ProM-3]-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 | 2015-07-26 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.918409 |
Spacegroup name | P 1 2 1 |
Unit cell lengths | 34.607, 38.251, 44.002 |
Unit cell angles | 90.00, 90.59, 90.00 |
Refinement procedure
Resolution | 25.662 - 1.150 |
R-factor | 0.1381 |
Rwork | 0.137 |
R-free | 0.16150 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5n9c |
RMSD bond length | 0.013 |
RMSD bond angle | 1.410 |
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] | 44.000 | 1.220 |
High resolution limit [Å] | 1.150 | 1.150 |
Rmeas | 0.045 | 0.782 |
Number of reflections | 38436 | 6060 |
<I/σ(I)> | 13.15 | |
Completeness [%] | 93.5 | 92 |
Redundancy | 2.2 | 2.1 |
CC(1/2) | 0.999 | 0.591 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293.15 | 2.1M ammonium sulfate, 180mM ammonium nitrate |