1AD3
CLASS 3 ALDEHYDE DEHYDROGENASE COMPLEX WITH NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH2R |
| Temperature [K] | 289 |
| Detector technology | AREA DETECTOR |
| Collection date | 1994-06 |
| Detector | SIEMENS |
| Spacegroup name | P 1 21 1 |
| 格子定数 [Å] | 64.950, 170.950, 47.160 |
| 格子定数 [度] | 90.00, 110.25, 90.00 |
精密化法
| 残基 | 8.000 - 2.600 |
| R因子 | 0.177 |
| Rwork | 0.177 |
| R-free | 0.27900 |
| Structure solution method | ISIRAS |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.008 |
| 結合角の平均二乗偏差(RMSD) [度] | 23.500 * |
| Data reduction software | XENGEN (V. 2.1) |
| Data scaling software | XENGEN (V. 2.1) |
| Phasing software | ISIRAS |
| Refinement software | X-PLOR (3.1) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 2.700 | |
| 分解能 [Å] (高) | 2.500 | 2.600 |
| Rmerge_l_obs | 0.050 | 0.183 |
| 独立反射数 | 25656 | |
| <I/σ(I)> | 17.444 | 2.29 |
| 完全性 [%] | 80.0 | 50 |
| 冗長性 | 2.3 | 2.3 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | Vapor diffusion * | 6.2 | Rose, J.P., (1990) Proteins: Struct.,Funct., Genet., 8, 305. * |
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 | drop | protein | 0.7 (mg/ml) | |
| 10 | 1 | reservoir | PIPES | 12.5 (mM) | |
| 11 | 1 | reservoir | PEG8000 | 2.5 (%) | |
| 2 | 1 | drop | PEG8000 | 1.5 (%(w/v)) | |
| 3 | 1 | drop | mercaptoethanol | 0.05 (%(w/v)) | |
| 4 | 1 | drop | EDTA | 0.5 (mM) | |
| 5 | 1 | drop | NAD | 0.25 (mg/ml) | |
| 6 | 1 | drop | PIPES | 12.5 (mM) | |
| 7 | 1 | reservoir | mercaptoethanol | 0.05 (%(w/v)) | |
| 8 | 1 | reservoir | EDTA | 0.5 (mM) | |
| 9 | 1 | reservoir | NAD | 0.25 (mg/ml) |
