4ZZY
Structure of human PARP2 catalytic domain bound to an isoindolinone inhibitor
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 43 21 2 |
| 格子定数 [Å] | 74.377, 74.377, 148.463 |
| 格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
| 残基 | 66.500 - 2.200 |
| R因子 | 0.21945 |
| Rwork | 0.216 |
| R-free | 0.28037 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3kcz |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.016 |
| 結合角の平均二乗偏差(RMSD) [度] | 1.856 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0117) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 30.000 | 2.320 |
| 分解能 [Å] (高) | 2.200 | 2.200 |
| Rmerge_l_obs | 0.080 | 0.450 |
| 独立反射数 | 21921 | |
| <I/σ(I)> | 20.6 | 6.5 |
| 完全性 [%] | 99.8 | 99.9 |
| 冗長性 | 7 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | 25% PEG4000, 0.2M MAGNESIUM CLORIDE, 0.1 M TRIS PH 8.5 |
