7KPA
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 | 2012-07-25 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.9786 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 55.130, 82.130, 93.040 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.030 - 2.300 |
| R-factor | 0.221 |
| Rwork | 0.216 |
| R-free | 0.26220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | unpublished structure |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.075 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | REFMAC |
| Refinement software | PHENIX ((1.13_2998)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.360 |
| High resolution limit [Å] | 2.300 | 10.290 | 2.300 |
| Rmerge | 0.117 | 0.045 | 0.674 |
| Number of reflections | 18973 | 215 | 1375 |
| <I/σ(I)> | 11.77 | 34 | 2.6 |
| Completeness [%] | 98.0 | 83 | 99.6 |
| Redundancy | 5.53 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 298 | 24.4% PEG 3350, 100 mM HEPES, pH7.0 |
