1DM3
ACETYLATED BIOSYNTHETIC THIOLASE FROM ZOOGLOEA RAMIGERA IN COMPLEX WITH ACETYL-COA
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X31 |
| Synchrotron site | EMBL/DESY, Hamburg |
| Beamline | X31 |
| Temperature [K] | 100 |
| Detector technology | AREA DETECTOR |
| Collection date | 1999-06-30 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| 格子定数 [Å] | 84.384, 78.846, 149.729 |
| 格子定数 [度] | 90.00, 93.51, 90.00 |
精密化法
| 残基 | 50.000 - 2.000 |
| R因子 | 0.214 * |
| Rwork | 0.214 |
| R-free | 0.25600 |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.017 |
| 結合角の平均二乗偏差(RMSD) [度] | 2.400 |
| Data scaling software | XDS |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 50.000 | 2.150 |
| 分解能 [Å] (高) | 2.000 | 2.030 |
| Rmerge_l_obs | 0.068 | 0.220 |
| 独立反射数 | 126823 | |
| <I/σ(I)> | 10.3 | |
| 完全性 [%] | 96.0 | 94.5 |
| 冗長性 | 2 | 2 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 294 | 0.9 M Ammonium sulfate, 1 M lithium sulfate, 0,1 M sodium acetate, 1 mM DTT, 1mM EDTA, 1mM sodium azide, pH 5, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
文献の結晶化試薬
| ID | 結晶ID | 溶液 | 試薬名 | 濃度 (単位) (単位) | 詳細 |
| 1 | 1 | reservoir | ammonium sulfate | 0.9 (M) | |
| 2 | 1 | reservoir | lithium sulfate | 1 (M) | |
| 3 | 1 | reservoir | sodium acetate | 0.1 (M) | |
| 4 | 1 | reservoir | dithiothreitol | 1 (mM) | |
| 5 | 1 | reservoir | sodium azide | 1 (mM) | |
| 6 | 1 | reservoir | EDTA | 1 (mM) |
