1XHC
NADH oxidase /nitrite reductase from Pyrococcus furiosus Pfu-1140779-001
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 21 21 21 |
| 格子定数 [Å] | 60.335, 73.737, 95.849 |
| 格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
| 残基 | 58.722 - 2.350 |
| R因子 | 0.20202 |
| Rwork | 0.200 |
| R-free | 0.24120 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1f3p |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.017 |
| 結合角の平均二乗偏差(RMSD) [度] | 1.407 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | REFMAC (refmac_5.2.0003) |
Quality characteristics
| Overall | Inner shell | Outer shell | |
| 分解能 [Å] (低) | 20.000 | 20.000 | 2.320 |
| 分解能 [Å] (高) | 2.150 | 3.670 | 2.150 |
| Rmerge_l_obs | 0.112 | 0.076 | 0.474 |
| Total number of observations | 4992 | 3045 | |
| 独立反射数 | 22114 | ||
| 完全性 [%] | 92.2 | 100 | 64.5 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | modified microbatch | 3.8 | 315 | 14%w/v PEG-4000, 0.15M sodium chloride, 0.15M magnesium chloride, 0.1M sodium acetate, modified microbatch, temperature 315K, pH 3.8 |
| 2 | modified microbatch | 3.8 | 315 | 18%w/v PEG-4000, 0.15M sodium chloride, 0.15M magnesium chloride, 0.1M sodium acetate, modified microbatch, temperature 315K, pH 3.8 |
