4GBK
Crystal structure of aspart insulin at pH 8.5
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS BEAMLINE W01B-MX2 |
| Synchrotron site | LNLS |
| Beamline | W01B-MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-10-17 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | H 3 |
| 格子定数 [Å] | 77.500, 77.500, 37.600 |
| 格子定数 [度] | 90.00, 90.00, 120.00 |
精密化法
| 残基 | 38.750 - 2.400 |
| R因子 | 0.2011 |
| Rwork | 0.198 |
| R-free | 0.26590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1zeh |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.018 |
| 結合角の平均二乗偏差(RMSD) [度] | 2.029 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.16) |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Quality characteristics
| Overall | Inner shell | Outer shell | |
| 分解能 [Å] (低) | 38.750 | 32.803 | 2.530 |
| 分解能 [Å] (高) | 2.400 | 7.590 | 2.400 |
| Rmerge_l_obs | 0.011 | 0.011 | |
| Total number of observations | 243 | 1245 | |
| 独立反射数 | 3189 | ||
| <I/σ(I)> | 4.2 | 4.8 | 0.6 |
| 完全性 [%] | 96.9 | 82.1 | 98.7 |
| 冗長性 | 2.8 | 2.9 | 2.7 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 2 uL mother liquor (0.1 M Tris, pH 8.5, 1.5 M ammonium sulfate, 12% v/v glycerol) + 2 uL protein (aspart insulin 100 U/mL), VAPOR DIFFUSION, HANGING DROP, temperature 293K |
