6E36
The structure of the variable domain of Streptococcus intermedius antigen I/II (Pas)
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 | 2017-10-18 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| 格子定数 [Å] | 71.038, 91.308, 71.893 |
| 格子定数 [度] | 90.00, 116.78, 90.00 |
精密化法
| 残基 | 45.650 - 1.700 |
| R因子 | 0.219 |
| Rwork | 0.217 |
| R-free | 0.24700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2wd6 |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.012 |
| 結合角の平均二乗偏差(RMSD) [度] | 1.504 |
| Data reduction software | XDS (20170923) |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | PHASER (2.8.2) |
| Refinement software | REFMAC (5.8.0189) |
Quality characteristics
| Overall | Inner shell | Outer shell | |
| 分解能 [Å] (低) | 45.650 | 45.650 | 1.730 |
| 分解能 [Å] (高) | 1.700 | 9.150 | 1.700 |
| Rmerge_l_obs | 0.074 | 0.060 | 0.927 |
| Rmeas | 0.090 | 0.073 | 1.137 |
| Rpim | 0.051 | 0.041 | 0.648 |
| 独立反射数 | 88963 | 565 | 4590 |
| <I/σ(I)> | 8.5 | 18.5 | 1.6 |
| 完全性 [%] | 98.9 | 93.1 | 99.8 |
| 冗長性 | 3 | 2.8 | 3 |
| CC(1/2) | 0.993 | 0.991 | 0.583 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 295 | 25% PEG3350, 250mM MgCl2, 100mM Tris pH 8.5 |
