5B2H
Crystal structure of HA33 from Clostridium botulinum serotype C strain Yoichi
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2013-11-09 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 1.000 |
| Spacegroup name | H 3 |
| 格子定数 [Å] | 142.517, 142.517, 126.794 |
| 格子定数 [度] | 90.00, 90.00, 120.00 |
精密化法
| 残基 | 30.700 - 2.200 |
| R因子 | 0.1858 |
| Rwork | 0.184 |
| R-free | 0.21330 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2e4m |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.010 |
| 結合角の平均二乗偏差(RMSD) [度] | 1.378 |
| Data scaling software | HKL-2000 |
| Refinement software | REFMAC (5.8.0135) |
Quality characteristics
| Overall | Inner shell | Outer shell | |
| 分解能 [Å] (低) | 50.000 | 50.000 | 2.240 |
| 分解能 [Å] (高) | 2.200 | 5.970 | 2.200 |
| Rmerge_l_obs | 0.085 | 0.036 | 0.461 |
| Rmeas | 0.106 | 0.045 | 0.574 |
| Rpim | 0.062 | 0.026 | 0.338 |
| Total number of observations | 141410 | ||
| 独立反射数 | 48719 | ||
| <I/σ(I)> | 8.8 | ||
| 完全性 [%] | 100.0 | 99.4 | 99.8 |
| 冗長性 | 2.9 | 2.9 | 2.8 |
| CC(1/2) | 0.997 | 0.689 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 0.1M Tris-HCl, 5% PEG400, 8% PEG 8000 |
