3L45
A Joint Neutron and X-ray structure of Oxidized Amicyanin
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 293 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 1 21 1 |
| 格子定数 [Å] | 27.540, 56.580, 28.860 |
| 格子定数 [度] | 90.00, 96.21, 90.00 |
精密化法
| 残基 | 28.000 - 1.800 |
| R因子 | 0.209 |
| Rwork | 0.209 |
| R-free | 0.23400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1aac |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.021 |
| 結合角の平均二乗偏差(RMSD) [度] | 2.000 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | EPMR |
| Refinement software | nCNS (1.0.0) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 28.000 | 1.850 |
| 分解能 [Å] (高) | 1.800 | 1.800 |
| Rmerge_l_obs | 0.256 | 0.410 |
| <I/σ(I)> | 4.2 | 1.5 |
| 冗長性 | 3.4 | 2.3 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | 291 | 2.4M ammonium sulfate, 100mM citric acid pH5 and 3M sodium monobasic/potassium dibasic phosphate, VAPOR DIFFUSION, SITTING DROP, temperature 291K | ||
| 1 | 291 | 2.4M ammonium sulfate, 100mM citric acid pH5 and 3M sodium monobasic/potassium dibasic phosphate, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
