4L3X
Nitrite complex of TvNiR, first middle dose data set
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 21 3 |
| Unit cell lengths | 194.850, 194.850, 194.850 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.060 - 1.850 |
| R-factor | 0.15347 |
| Rwork | 0.153 |
| R-free | 0.17022 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 2.555 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.060 | 1.900 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.125 | 0.674 |
| Number of reflections | 208198 | |
| <I/σ(I)> | 8.7 | 2.3 |
| Completeness [%] | 99.4 | 98.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 278 | Protein solution (2.5mcl): 10.0 mg/ml TvNiR, 0.05M Tris-HCl, pH7.2. Reservoir solution (2.5mcl): 1.26M tri-sodium citrate dihydrate, 0.09M HEPES/NaOH, 10% v/v glycerol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 278.0K |
