6B09
Crystal structure of HsNUDT16 in complex with diADPR (soaked)
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ DW |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-12-17 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.5417 |
| Spacegroup name | C 1 2 1 |
| 格子定数 [Å] | 113.395, 47.063, 75.792 |
| 格子定数 [度] | 90.00, 108.74, 90.00 |
精密化法
| 残基 | 37.620 - 3.200 |
| R因子 | 0.2566 |
| Rwork | 0.256 |
| R-free | 0.27910 |
| Structure solution method | MOLECULAR REPLACEMENT |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.010 |
| 結合角の平均二乗偏差(RMSD) [度] | 1.842 |
| Data reduction software | HKL-3000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Quality characteristics
| Overall | Inner shell | Outer shell | |
| 分解能 [Å] (低) | 60.000 | 60.000 | 3.260 |
| 分解能 [Å] (高) | 3.200 | 8.680 | 3.200 |
| Rmerge_l_obs | 0.167 | 0.049 | 0.592 |
| Rmeas | 0.214 | 0.064 | 0.759 |
| Rpim | 0.131 | 0.041 | 0.469 |
| Total number of observations | 13751 | ||
| 独立反射数 | 6140 | 315 | 320 |
| <I/σ(I)> | 6 | ||
| 完全性 [%] | 91.4 | 85.8 | 95.5 |
| 冗長性 | 2.2 | 2 | 2.1 |
| CC(1/2) | 0.991 | 0.510 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION | 9.5 | 293 | PEG 8000, CHES |
