7TDC
Crystal structure of the E. coli thiM riboswitch in complex with thiamine bisphosphonate, calcium ions
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] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-03-21 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.9791 |
| Spacegroup name | P 32 1 2 |
| 格子定数 [Å] | 65.006, 65.006, 101.274 |
| 格子定数 [度] | 90.00, 90.00, 120.00 |
精密化法
| 分解能 | 56.300 - 2.460 |
| R因子 | 0.215 |
| Rwork | 0.211 |
| R-free | 0.24700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2hoj |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.005 |
| 結合角の平均二乗偏差(RMSD) [度] | 1.116 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.14_3260) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 56.300 | 2.560 |
| 分解能 [Å] (高) | 2.460 | 2.460 |
| Rmerge_l_obs | 0.098 | 3.730 |
| 独立反射数 | 9133 | 1026 |
| <I/σ(I)> | 13.9 | 0.7 |
| 完全性 [%] | 99.9 | 99.9 |
| 冗長性 | 13.8 | 12.9 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 291 | RNA (0.15 mM) was incubated in a buffer containing 5 mM Tris-HCl, pH 8.0, 3 mM MgCl2, 10 mM NaCl, 0.1 M KCl, and 0.5 mM spermine with 0.75 mM TPPc. Reservoir solution was 50 mM sodium cacodylate, pH 6.0, 0.3 M NH4Cl, 10 mm CaCl2, and 30% (v/v) PEG2000 |
