8EQO
Crystal structure of E.coli DsbA mutant K58A
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-03-10 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.95370 |
| Spacegroup name | C 1 2 1 |
| 格子定数 [Å] | 117.635, 63.090, 74.408 |
| 格子定数 [度] | 90.00, 126.65, 90.00 |
精密化法
| 分解能 | 34.180 - 1.620 |
| R因子 | 0.1563 |
| Rwork | 0.155 |
| R-free | 0.18380 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fvk |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.19.2_4158) |
Quality characteristics
| Overall | Inner shell | Outer shell | |
| 分解能 [Å] (低) | 48.100 | 48.100 | 1.650 |
| 分解能 [Å] (高) | 1.620 | 8.890 | 1.620 |
| Rmerge_l_obs | 0.033 | 0.020 | 0.242 |
| Rmeas | 0.038 | 0.023 | 0.281 |
| Rpim | 0.019 | 0.012 | 0.141 |
| Total number of observations | 203208 | 1193 | 8835 |
| 独立反射数 | 54574 | 345 | 2392 |
| <I/σ(I)> | 19.7 | 44 | 4.1 |
| 完全性 [%] | 98.8 | 94.7 | 88 |
| 冗長性 | 3.7 | 3.5 | 3.7 |
| CC(1/2) | 0.999 | 0.999 | 0.928 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 11-13% PEG 8000, 5-7.5% glycerol, 1 mM copper(II) chloride, 100 mM sodium cacodylate |
