3KKY
Structure of Manganese Superoxide Dismutase from Deinococcus Radiodurans in the orthorhombic space group P212121: A case study of mistaken identity
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 298 |
| Detector technology | IMAGE PLATE |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| 格子定数 [Å] | 60.150, 80.240, 85.410 |
| 格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
| 残基 | 20.000 - 1.800 |
| R因子 | 0.166 |
| Rwork | 0.166 |
| R-free | 0.20100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ce4 |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.014 |
| 結合角の平均二乗偏差(RMSD) [度] | 1.355 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 20.000 | 1.860 |
| 分解能 [Å] (高) | 1.800 | 1.800 |
| Rmerge_l_obs | 0.105 | 0.385 |
| 独立反射数 | 34999 | |
| <I/σ(I)> | 4.1 | |
| 完全性 [%] | 90.0 | 91.5 |
| 冗長性 | 24.8 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.05M K2PO4, 16% PEG, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
