1Z3W
Structure of Phanerochaete chrysosporium cellobiohydrolase Cel7D (CBH58) in complex with cellobioimidazole
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-07-08 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9330 |
| Spacegroup name | C 1 2 1 |
| 格子定数 [Å] | 87.382, 46.578, 98.505 |
| 格子定数 [度] | 90.00, 102.58, 90.00 |
精密化法
| 残基 | 36.270 - 1.700 |
| R因子 | 0.18108 |
| Rwork | 0.178 |
| R-free | 0.22729 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1gpi |
| 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] | 1.215 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | REFMAC (5.0) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 43.000 | 1.790 |
| 分解能 [Å] (高) | 1.700 | 1.700 |
| Rmerge_l_obs | 0.052 | 0.194 |
| 独立反射数 | 39785 | |
| <I/σ(I)> | 14 | 3.8 |
| 完全性 [%] | 93.2 | 92.4 |
| 冗長性 | 2.3 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 294 | TRIS-HCl, calcium chloride, PEG 5000, glycerol, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
