6NNV
PD-L1 IgV domain complex with macro-cyclic peptide
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-02-03 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.97856 |
| Spacegroup name | P 1 21 1 |
| 格子定数 [Å] | 56.840, 61.683, 80.895 |
| 格子定数 [度] | 90.00, 90.17, 90.00 |
精密化法
| 残基 | 29.099 - 1.920 |
| R因子 | 0.2176 |
| Rwork | 0.215 |
| R-free | 0.25310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3bik |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.004 |
| 結合角の平均二乗偏差(RMSD) [度] | 1.046 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.14_3260: ???)) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 30.000 | 1.960 |
| 分解能 [Å] (高) | 1.920 | 1.920 |
| Rmerge_l_obs | 0.088 | 0.338 |
| Rmeas | 0.105 | 0.415 |
| Rpim | 0.055 | 0.237 |
| 独立反射数 | 41912 | 2469 |
| <I/σ(I)> | 10.1 | |
| 完全性 [%] | 96.3 | 92.3 |
| 冗長性 | 3.2 | 2.5 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | EVAPORATION | 291 | 0.056 M sodium phosphate monobasic, 1.344 M potassium phosphate dibasic |
