4MY6
EnaH-EVH1 in complex with peptidomimetic low-molecular weight inhibitor Ac-[2-Cl-F]-[ProM-2]-[ProM-1]-OH
Experimental procedure
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Detector technology | CCD |
Collection date | 2012-06-22 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.91841 |
Spacegroup name | C 2 2 2 |
Unit cell lengths | 89.830, 131.420, 35.560 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 32.064 - 1.700 |
Rwork | 0.189 |
R-free | 0.23820 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1evh |
Data scaling software | SCALA |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.000 | 1.740 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.074 | 0.589 |
Number of reflections | 23659 | |
<I/σ(I)> | 4.02 | 2.35 |
Completeness [%] | 99.8 | 99.9 |
Redundancy | 4.11 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 2.2M ammonium sulphate, 200mM ammonium bromide, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 298K |