3MK6
Substrate and Inhibitor Binding to Pank
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-12-04 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97921 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.709, 180.380, 77.419 |
| Unit cell angles | 90.00, 95.48, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.980 |
| R-factor | 0.18771 |
| Rwork | 0.185 |
| R-free | 0.23186 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2i7p |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.462 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.050 |
| High resolution limit [Å] | 1.980 | 1.980 |
| Number of reflections | 106621 | |
| <I/σ(I)> | 17.5 | 1.8 |
| Completeness [%] | 98.8 | 90.2 |
| Redundancy | 3.6 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | Ammonium citrate dibasic, PEG 3350, and TCEP, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
