2ID4
The 1.9 A structure of Kex2 in complex with an Ac-R-E-R-K-chloromethyl ketone inhibitor.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 14-BM-C |
Synchrotron site | APS |
Beamline | 14-BM-C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-06-28 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 112.851, 112.851, 370.165 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 40.790 - 1.900 |
R-factor | 0.17853 |
Rwork | 0.177 |
R-free | 0.20604 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1r64 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.139 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.970 |
High resolution limit [Å] | 1.900 | 4.090 | 1.900 |
Rmerge | 0.061 | 0.046 | 0.354 |
Number of reflections | 107215 | ||
<I/σ(I)> | 15.1 | ||
Completeness [%] | 96.7 | 98.5 | 70.7 |
Redundancy | 14.2 | 19.2 | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 298 | 2.4 M Ammonium Sulfate, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K |