2BTN
Crystal Structure and Catalytic Mechanism of the Quorum-Quenching N- Acyl Homoserine Lactone Hydrolase
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 6B |
| Synchrotron site | PAL/PLS |
| Beamline | 6B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-11-23 |
| Spacegroup name | P 21 21 21 |
| 格子定数 [Å] | 52.660, 55.921, 74.057 |
| 格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
| 残基 | 44.630 - 2.000 |
| R因子 | 0.185 |
| Rwork | 0.183 |
| R-free | 0.23300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| 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] | 1.384 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0003) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 44.600 | 2.070 |
| 分解能 [Å] (高) | 2.000 | 2.000 |
| Rmerge_l_obs | 0.110 | 0.410 |
| 独立反射数 | 15232 | |
| <I/σ(I)> | 18.4 | 4.4 |
| 完全性 [%] | 99.0 | 97.7 |
| 冗長性 | 6.9 | 6.5 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | 7.8 | 0.1 M TRIS-HCL(PH 7.8), 30% PEG 4000,0.2 M MGCL2 |
