5I0A
RecA mini intein in complex with cisplatin
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL14-1 |
| Synchrotron site | SSRL |
| Beamline | BL14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-08-07 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 1.0711 |
| Spacegroup name | P 21 21 2 |
| 格子定数 [Å] | 57.269, 64.051, 37.167 |
| 格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
| 残基 | 37.167 - 1.500 |
| R因子 | 0.1724 |
| Rwork | 0.170 |
| R-free | 0.19280 |
| Structure solution method | SAD |
| Starting model (for MR) | 2in0 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Quality characteristics
| Overall | Inner shell | Outer shell | |
| 分解能 [Å] (低) | 100.000 | 100.000 | 1.530 |
| 分解能 [Å] (高) | 1.500 | 4.070 | 1.500 |
| Rmerge_l_obs | 0.066 | 0.043 | 0.603 |
| Rmeas | 0.071 | 0.046 | 0.657 |
| Rpim | 0.026 | 0.017 | 0.255 |
| Total number of observations | 159217 | ||
| 独立反射数 | 22614 | ||
| <I/σ(I)> | 12.9 | ||
| 完全性 [%] | 99.9 | 99.2 | 100 |
| 冗長性 | 7 | 6.5 | 6.5 |
| CC(1/2) | 0.999 | 0.875 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | EVAPORATION | 8.5 | 298 | 58% ammonium sulfate, 0.1M Tris, pH 8.5, 2% isopropanol, 2 mM cisplatin |
