1A8M
TUMOR NECROSIS FACTOR ALPHA, R31D MUTANT
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH2R |
| Temperature [K] | 290 |
| Detector technology | IMAGE PLATE |
| Collection date | 1994-07 |
| Detector | RIGAKU |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 94.700, 94.700, 117.400 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 2.300 |
| R-factor | 0.218 |
| Rwork | 0.218 |
| R-free | 0.24000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1tnf |
| RMSD bond length | 0.013 |
| RMSD bond angle | 2.300 |
| Data reduction software | PROCESS |
| Data scaling software | PROCESS |
| Phasing software | X-PLOR (3.1) |
| Refinement software | X-PLOR (3.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 10.000 | 2.400 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.078 | |
| Total number of observations | 85815 * | |
| Number of reflections | 21396 | |
| <I/σ(I)> | 7.8 | 1.8 |
| Completeness [%] | 97.3 | |
| Redundancy | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, sitting drop * | 5.5 | CRYSTALLIZED FROM 88% MGSO4, 1-2% PEG 400, 0.2 M MES, PH 5.5. |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 20 (mg/ml) | |
| 2 | 1 | drop | 0.15 (M) | ||
| 3 | 1 | drop | Tris-HCl | 0.02 (M) | |
| 4 | 1 | drop | magnesium sulfate | ||
| 5 | 1 | reservoir | MES | 0.2 (M) | |
| 6 | 1 | reservoir | PEG400 | 1-2 (%) |
