6Q6X
Structure of Fucosylated D-antimicrobial peptide SB6 in complex with the Fucose-binding lectin PA-IIL at 1.525 Angstrom resolution
Experimental procedure
| 実験手法 | MAD |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2016-06-30 |
| Detector | DECTRIS PILATUS 2M-F |
| Wavelength(s) | 1.000030 |
| Spacegroup name | P 1 21 1 |
| 格子定数 [Å] | 52.474, 59.416, 72.060 |
| 格子定数 [度] | 90.00, 106.12, 90.00 |
精密化法
| 残基 | 47.509 - 1.525 |
| R因子 | 0.1594 |
| Rwork | 0.158 |
| R-free | 0.18200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.006 |
| 結合角の平均二乗偏差(RMSD) [度] | 0.846 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.22) |
| Phasing software | PHASER (2.6.0) |
| Refinement software | PHENIX |
Quality characteristics
| Overall | Inner shell | Outer shell | |
| 分解能 [Å] (低) | 47.509 | 47.509 | 1.610 |
| 分解能 [Å] (高) | 1.525 | 4.820 | 1.530 |
| Rmerge_l_obs | 0.026 | 0.435 | |
| Rmeas | 0.081 | 0.032 | 0.541 |
| Rpim | 0.046 | 0.018 | 0.317 |
| Total number of observations | 175314 | 6389 | 20952 |
| 独立反射数 | 62803 | 2071 | 8132 |
| <I/σ(I)> | 13.9 | 38.1 | 3.2 |
| 完全性 [%] | 96.8 | 97 | 86.4 |
| 冗長性 | 2.8 | 3.1 | 2.6 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 0.1 M HEPES sodium pH 7.5, 2% v/v Polyethylene glycol 400, 2.0 M Ammonium sulfate |
