6GUI
Siderophore hydrolase EstB mutant H267N from Aspergillus fumigatus
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-04-16 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| 格子定数 [Å] | 54.970, 92.610, 130.900 |
| 格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
| 残基 | 15.000 - 1.700 |
| R因子 | 0.16009 |
| Rwork | 0.159 |
| R-free | 0.18724 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6gud |
| 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] | 1.053 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 45.000 | 1.800 |
| 分解能 [Å] (高) | 1.700 | 1.700 |
| Rmerge_l_obs | 0.052 | 0.576 |
| 独立反射数 | 73016 | |
| <I/σ(I)> | 14.7 | 3.1 |
| 完全性 [%] | 98.3 | 99.1 |
| 冗長性 | 4.5 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M citrate pH 4.5 0.9 M ammonium tartrate |
