6AWR
Structure of PR 10 Allergen Ara h 8.01 in complex with ANS
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-11-24 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| 格子定数 [Å] | 41.041, 87.291, 42.850 |
| 格子定数 [度] | 90.00, 96.69, 90.00 |
精密化法
| 残基 | 43.650 - 1.600 |
| R因子 | 0.16927 |
| Rwork | 0.167 |
| R-free | 0.20770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4map |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.015 |
| 結合角の平均二乗偏差(RMSD) [度] | 1.791 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0158) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 50.000 | 1.630 |
| 分解能 [Å] (高) | 1.600 | 1.600 |
| Rmerge_l_obs | 0.030 | 0.373 |
| Rmeas | 0.040 | 0.529 |
| Rpim | 0.019 | 0.260 |
| 独立反射数 | 39114 | 1953 |
| <I/σ(I)> | 37 | 2.3 |
| 完全性 [%] | 98.9 | 99.1 |
| 冗長性 | 4 | 3.9 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 295 | 100 mM Tris, pH 8.5, 200 mM lithium sulfate, 32% PEG 4000 |
