6RMJ
Crystal structure of human NGR-TNF
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-3 |
| Synchrotron site | ESRF |
| Beamline | ID14-3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-09-21 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.931 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 92.011, 92.011, 116.879 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.330 - 2.650 |
| R-factor | 0.2111 |
| Rwork | 0.209 |
| R-free | 0.25250 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5m2j |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.626 |
| Data reduction software | XDS (20190315) |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER (2.8.0) |
| Refinement software | PHENIX (1-12.2829) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 49.330 | 49.330 | 2.780 |
| High resolution limit [Å] | 2.650 | 8.790 | 2.650 |
| Rmerge | 0.137 | 0.052 | 3.563 |
| Rmeas | 0.141 | 0.054 | 3.678 |
| Rpim | 0.035 | 0.015 | 0.905 |
| Total number of observations | 241457 | ||
| Number of reflections | 15203 | 498 | 1973 |
| <I/σ(I)> | 15.6 | 42.2 | 1 |
| Completeness [%] | 100.0 | 99.5 | 100 |
| Redundancy | 15.9 | 12.3 | 16.3 |
| CC(1/2) | 0.999 | 0.998 | 0.469 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 293 | 50 mM MES, 2.8 M magnesium sulfate, 1 M NaCL, 2% isopropanol |
