3NML
Sperm whale myoglobin mutant H64W carbonmonoxy-form
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2009-04-10 |
| Detector | RIGAKU RAXIS |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| 格子定数 [Å] | 38.930, 46.960, 89.500 |
| 格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
| 残基 | 22.711 - 1.680 |
| R因子 | 0.1689 |
| Rwork | 0.166 |
| R-free | 0.19600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2mbw |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.019 |
| 結合角の平均二乗偏差(RMSD) [度] | 1.242 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | CNS |
| Refinement software | PHENIX (1.6.1_357) |
Quality characteristics
| Overall | Inner shell | Outer shell | |
| 分解能 [Å] (低) | 41.590 | 41.590 | 1.740 |
| 分解能 [Å] (高) | 1.680 | 3.620 | 1.680 |
| Rmerge_l_obs | 0.041 | 0.029 | 0.159 |
| Total number of observations | 7704 | 5738 | |
| 独立反射数 | 19145 | ||
| <I/σ(I)> | 19.7 | 51.6 | 7 |
| 完全性 [%] | 98.9 | 99.5 | 94.7 |
| 冗長性 | 3.71 | 3.61 | 3.2 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | Batch Method | 9 | 293 | Protein solution (20mg/ml protein in 0.02m Tris-HCl ph9.0) mixed with mother liquor (3.2m ammonium sulphate, 0.05m tris-hcl, ph9.0) for final concentrations of 2.5m ammonium sulphate, Batch Method, temperature 293K |
