6IAH
Phosphatase Tt82 from Thermococcus thioreducens
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-11-21 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 21 21 2 |
| 格子定数 [Å] | 66.330, 117.000, 33.830 |
| 格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
| 残基 | 43.870 - 1.750 |
| R因子 | 0.1874 |
| Rwork | 0.185 |
| R-free | 0.22550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Generic Helix |
| 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] | 1.669 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | Arcimboldo (LITE) |
| Refinement software | REFMAC |
Quality characteristics
| Overall | Inner shell | Outer shell | |
| 分解能 [Å] (低) | 43.870 | 43.870 | 1.800 |
| 分解能 [Å] (高) | 1.750 | 7.830 | 1.750 |
| Rmerge_l_obs | 0.057 | 0.030 | 0.473 |
| Rmeas | 0.061 | 0.033 | 0.510 |
| 独立反射数 | 27374 | 371 | 1997 |
| <I/σ(I)> | 18.39 | 49.56 | 3.63 |
| 完全性 [%] | 99.9 | 98.9 | 99.7 |
| 冗長性 | 7.185 | 6.305 | 7.134 |
| CC(1/2) | 0.999 | 0.998 | 0.964 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 295 | 0.2 M Magnesium chloride hexahydrate, 25% w/v Polyethyleneglycol 3350, 0.1 M Tris pH 8.5 |
