3BXN
The high resolution crystal structure of HLA-B*1402 complexed with a Cathepsin A signal sequence peptide, pCatA
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-04-27 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.91841 |
| Spacegroup name | P 21 21 21 |
| 格子定数 [Å] | 50.791, 82.144, 110.734 |
| 格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
| 残基 | 50.000 - 1.864 |
| R因子 | 0.17181 |
| Rwork | 0.169 |
| R-free | 0.21904 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3bvn |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.013 |
| 結合角の平均二乗偏差(RMSD) [度] | 1.441 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.3) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 50.000 | 1.930 |
| 分解能 [Å] (高) | 1.864 | 1.864 |
| Rmerge_l_obs | 0.070 | 0.240 |
| 独立反射数 | 38358 | |
| <I/σ(I)> | 20.14 | 3.6 |
| 完全性 [%] | 96.8 | |
| 冗長性 | 4.6 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 24- 27%(w/v) PEG 20000, with 0.1 M HEPES pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
