7KP9
asymmetric hTNF-alpha
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-11-30 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.9786 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 54.520, 81.960, 93.240 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.060 - 2.150 |
| R-factor | 0.19 |
| Rwork | 0.188 |
| R-free | 0.24100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | unpublished structure |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.486 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | REFMAC (5.7.0032) |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.210 |
| High resolution limit [Å] | 2.150 | 9.620 | 2.150 |
| Rmerge | 0.092 | 0.030 | 0.503 |
| Number of reflections | 23367 | 302 | 1716 |
| <I/σ(I)> | 14.19 | 37.1 | 3.1 |
| Completeness [%] | 99.9 | 97.4 | 100 |
| Redundancy | 4.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 9 | 298 | 21.44% PEG 3350, 100 mM Tris pH9.0, vapor diffusion, temperature 298K |
