2AOB
Crystal structures of a high-affinity macrocyclic peptide mimetic in complex with the Grb2 SH2 domain
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-06-20 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1 |
| Spacegroup name | C 2 2 21 |
| 格子定数 [Å] | 87.817, 106.191, 102.083 |
| 格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
| 残基 | 25.000 - 1.800 |
| R因子 | 0.2352 |
| Rwork | 0.232 |
| R-free | 0.29342 |
| Structure solution method | MIR |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.022 |
| 結合角の平均二乗偏差(RMSD) [度] | 3.031 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0005) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 25.000 | 1.840 |
| 分解能 [Å] (高) | 1.780 | 1.780 |
| 独立反射数 | 44270 | |
| <I/σ(I)> | 27 | |
| 完全性 [%] | 96.0 | 87.5 |
| 冗長性 | 7.3 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION | 5.7 | 298 | PEG 3350, sodium acetate, sodium chloride, pH 5.7, VAPOR DIFFUSION, temperature 298K |
