6MIS
Native ananain in complex with E-64
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 193 |
| Detector technology | CCD |
| Collection date | 2012-03-08 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.953689 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 66.463, 84.340, 85.177 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 59.930 - 1.980 |
| R-factor | 0.1959 |
| Rwork | 0.194 |
| R-free | 0.22960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1IWD.pdb |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.849 |
| Data reduction software | xia2 |
| Data scaling software | SCALA |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 85.180 | 2.090 |
| High resolution limit [Å] | 1.980 | 1.980 |
| Rmerge | 0.126 | 0.591 |
| Rpim | 0.074 | 0.349 |
| Number of reflections | 33613 | 4647 |
| <I/σ(I)> | 12.3 | 3.3 |
| Completeness [%] | 99.3 | 96 |
| Redundancy | 7.2 | 7.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.8 | 293 | The inhibited ananain was desalted using a PD10 column equilibrated with 20 mM Tris, pH 8.0, 20 mM NaCl and then concentrated to 6.5 mg/ml. A reservoir solution comprised of 72% (w/v) MPD, 0.1 M Tris, pH 8.8. Equal reservoir to protein ratio with streak seeding using previous native ananain crystals |
