1A01
HEMOGLOBIN (VAL BETA1 MET, TRP BETA37 ALA) MUTANT
Experimental procedure
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH2R |
| Temperature [K] | 295 |
| Detector technology | AREA DETECTOR |
| Collection date | 1992-10-02 |
| Detector | XUONG-HAMLIN MULTIWIRE |
| Spacegroup name | P 1 21 1 |
| 格子定数 [Å] | 63.400, 83.600, 53.800 |
| 格子定数 [度] | 90.00, 99.30, 90.00 |
精密化法
| 残基 | 8.000 - 1.800 |
| R因子 | 0.169 * |
| Rwork | 0.169 |
| R-free | 0.22300 |
| Structure solution method | ISOMORPHOUS WITH DEOXYHEMOGLOBIN A. |
| Starting model (for MR) | BV1M STRUCTURE PDB ENTRY 1DXU. |
| 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] | 0.029 |
| Data reduction software | SDMS |
| Data scaling software | SDMS |
| Refinement software | PROLSQ |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 25.000 | 1.940 |
| 分解能 [Å] (高) | 1.800 | 1.800 |
| Rmerge_l_obs | 0.036 | 0.182 |
| Total number of observations | 460141 * | |
| 独立反射数 | 49388 | |
| <I/σ(I)> | 14.6 | 3.45 |
| 完全性 [%] | 96.3 | 90.8 |
| 冗長性 | 9.3 | 5.5 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | Batch method * | 6.5 | 2.3 M AMMONIUM SULFATE 0.3 M AMMONIUM PHOSPHATE PH 6.5 10 MM FERROUS CITRATE |
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 | 1 | potassium phosphate | 10 (mM) | |
| 2 | 1 | 1 | 100 (mM) | ||
| 3 | 1 | 1 | sodium dithionite | 3 (mM) | |
| 4 | 1 | 1 | PEG6000 | 10.0 (%) | |
| 5 | 1 | 1 | hemoglobin | 10 (mg/ml) |
