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Starting model (for MR) | unpublished structure |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 |