2XKI
Aquo-met structure of C.lacteus mini-Hb
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 210 |
| Spacegroup name | P 21 21 21 |
| 格子定数 [Å] | 42.503, 43.197, 60.168 |
| 格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
| 残基 | 35.090 - 1.300 |
| R因子 | 0.14722 |
| Rwork | 0.144 |
| R-free | 0.17741 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1kr7 |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.011 |
| 結合角の平均二乗偏差(RMSD) [度] | 1.244 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0072) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 35.090 | 1.370 |
| 分解能 [Å] (高) | 1.300 | 1.300 |
| Rmerge_l_obs | 0.050 | 0.340 |
| 独立反射数 | 27887 | |
| <I/σ(I)> | 15.5 | 3.3 |
| 完全性 [%] | 99.9 | 100 |
| 冗長性 | 5.6 | 3.9 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION | 6 | 277 | 605 AMMONIUM SULPHATE, 50 MM SODIUM ACETATE PH 6.0, AT 4C |
