3H5C
X-Ray Structure of Protein Z-Protein Z Inhibitor Complex
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 | 2008-11-02 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 119.934, 119.934, 347.672 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 44.580 - 3.260 |
| R-factor | 0.206 |
| Rwork | 0.201 |
| R-free | 0.26900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.367 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.460 |
| High resolution limit [Å] | 3.260 | 3.260 |
| Rmerge | 0.089 | 0.480 |
| Number of reflections | 23487 | |
| <I/σ(I)> | 17.1 | 3.7 |
| Completeness [%] | 94.7 | 85.9 |
| Redundancy | 6.3 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 295 | 15-17% PEG 3350, 0.2M bis-tris-propane, 0.045M potassium thiocyanate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 295.0K |
