7BQK
The structure of PdxI in complex with its substrate analogue
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-11-03 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 41 21 2 |
| 格子定数 [Å] | 86.345, 86.345, 292.078 |
| 格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
| 分解能 | 38.615 - 1.990 |
| R因子 | 0.1757 |
| Rwork | 0.174 |
| R-free | 0.20210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7bqj |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.013 |
| 結合角の平均二乗偏差(RMSD) [度] | 0.991 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHENIX (1.12_2829) |
| Refinement software | PHENIX (1.12_2829) |
Quality characteristics
| Overall | Inner shell | Outer shell | |
| 分解能 [Å] (低) | 50.000 | 50.000 | 2.020 |
| 分解能 [Å] (高) | 1.990 | 5.400 | 1.990 |
| Rmerge_l_obs | 0.163 | 0.078 | 0.988 |
| Rmeas | 0.166 | 0.080 | 1.008 |
| Rpim | 0.032 | 0.017 | 0.200 |
| 独立反射数 | 77183 | 4256 | 3797 |
| <I/σ(I)> | 3.8 | ||
| 完全性 [%] | 100.0 | 99.8 | 100 |
| 冗長性 | 26.3 | 24.2 | 25.3 |
| CC(1/2) | 0.998 | 0.882 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION, SITTING DROP | 289 | 10% PEG 20000, 20% PEG MME550, 0.02M of each alcohol (0.2M 1,6-hexanediol, 0.2M 1-butanol, 0.2M (RS)-1,2propanediol, 0.2M 2-propanol, 0.2M 1,4-butanediol, 0.2M 1,3-propanediol), 0.1M MOPS/HEPES-Na pH 7.5 |
