6A2D
Crystal structure of a synthase 2 from santalum album in complex with ligand1
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13B1 |
| Synchrotron site | NSRRC |
| Beamline | BL13B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-05-21 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 43 21 2 |
| 格子定数 [Å] | 132.527, 132.527, 141.903 |
| 格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
| 残基 | 24.840 - 1.960 |
| R因子 | 0.1816 |
| Rwork | 0.180 |
| R-free | 0.22250 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ong |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.010 |
| 結合角の平均二乗偏差(RMSD) [度] | 1.453 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Quality characteristics
| Overall | Inner shell | Outer shell | |
| 分解能 [Å] (低) | 25.000 | 25.000 | 2.030 |
| 分解能 [Å] (高) | 1.960 | 4.220 | 1.960 |
| Rmerge_l_obs | 0.093 | 0.029 | 0.866 |
| Rmeas | 0.101 | 0.031 | 0.939 |
| Rpim | 0.039 | 0.012 | 0.360 |
| Total number of observations | 606547 | ||
| 独立反射数 | 90982 | 9572 | 8973 |
| <I/σ(I)> | 8 | ||
| 完全性 [%] | 100.0 | 100 | 100 |
| 冗長性 | 6.7 | 6.3 | 6.8 |
| CC(1/2) | 0.999 | 0.735 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 285 | AMMONIUM TARTRATE, PEG 3350, MGCL2 |
