4RZF
Crystal Structure Analysis of the NUR77 Ligand Binding Domain, S441W mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-11-03 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 74.542, 76.183, 128.095 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.940 - 1.990 |
| R-factor | 0.18787 |
| Rwork | 0.186 |
| R-free | 0.22732 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.926 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASES |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.070 |
| High resolution limit [Å] | 1.990 | 5.510 | 2.030 |
| Rmerge | 0.071 | 0.049 | 0.341 |
| Number of reflections | 43304 | ||
| <I/σ(I)> | 13.9 | ||
| Completeness [%] | 91.9 | 82.8 | 86.3 |
| Redundancy | 3.4 | 3.8 | 3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 4.2 | 277 | PEG4000, Sodium citrate, Glycerol, pH 4.2, vapor diffusion, temperature 277K |
