1XI3
Thiamine phosphate pyrophosphorylase from Pyrococcus furiosus Pfu-1255191-001
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.00 |
| Spacegroup name | I 2 2 2 |
| 格子定数 [Å] | 72.386, 81.210, 152.903 |
| 格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
| 残基 | 29.086 - 1.700 |
| R因子 | 0.18878 |
| Rwork | 0.188 |
| R-free | 0.21470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1g4t |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.016 |
| 結合角の平均二乗偏差(RMSD) [度] | 1.367 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (refmac_5.2.0005) |
Quality characteristics
| Overall | Inner shell | Outer shell | |
| 分解能 [Å] (低) | 30.000 | 30.000 | 1.760 |
| 分解能 [Å] (高) | 1.700 | 3.660 | 1.700 |
| Rmerge_l_obs | 0.098 | 0.074 | 0.281 |
| Total number of observations | 5267 | 4961 | |
| 独立反射数 | 50284 | ||
| 完全性 [%] | 100.0 | 100 | 100 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | modified microbatch | 4.6 | 291 | 30%v/v PEG 2000 MME, 0.2M ammonium sulfate, 0.1M sodium acetate, pH 4.6, modified microbatch, temperature 291KK |
