4Y24
Complex of human Galectin-1 and TD-139
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13C1 |
| Synchrotron site | NSRRC |
| Beamline | BL13C1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-07-20 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97622 |
| Spacegroup name | P 21 21 21 |
| 格子定数 [Å] | 43.578, 58.242, 110.976 |
| 格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
| 残基 | 29.538 - 2.320 |
| R因子 | 0.2053 |
| Rwork | 0.200 |
| R-free | 0.24790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| 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] | 0.770 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER (2.5.3) |
| Refinement software | PHENIX |
Quality characteristics
| Overall | Inner shell | Outer shell | |
| 分解能 [Å] (低) | 30.000 | 30.000 | 2.400 |
| 分解能 [Å] (高) | 2.320 | 4.990 | 2.320 |
| Rmerge_l_obs | 0.092 | 0.049 | 0.274 |
| Total number of observations | 87647 | ||
| 独立反射数 | 12357 | ||
| <I/σ(I)> | 10.8 | ||
| 完全性 [%] | 96.5 | 99.8 | 86.3 |
| 冗長性 | 7.1 | 7 | 5.3 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 0.1 M Tris (pH 8.0), 0.2 M Li2SO4, 30% (w/v) PEG 3350 |
