4ZEL
Human dopamine beta-hydroxylase
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-08-19 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1.00730 |
| Spacegroup name | C 2 2 21 |
| 格子定数 [Å] | 102.810, 119.060, 224.830 |
| 格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
| 残基 | 59.530 - 2.900 |
| R因子 | 0.2315 |
| Rwork | 0.230 |
| R-free | 0.26960 |
| Structure solution method | SAD |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.007 |
| 結合角の平均二乗偏差(RMSD) [度] | 1.457 |
| Data reduction software | xia2 (0.3.5.0) |
| Data scaling software | xia2 |
| Phasing software | SHELXDE |
| Refinement software | PHENIX |
Quality characteristics
| Overall | Inner shell | Outer shell | |
| 分解能 [Å] (低) | 63.980 | 63.980 | 2.980 |
| 分解能 [Å] (高) | 2.900 | 12.970 | 2.900 |
| Rmerge_l_obs | 0.147 | 0.031 | 1.263 |
| Rpim | 0.068 | 0.016 | 0.561 |
| Total number of observations | 202337 | 2061 | 15396 |
| 独立反射数 | 30957 | ||
| <I/σ(I)> | 10.6 | 34.4 | 1.6 |
| 完全性 [%] | 99.9 | 97.8 | 99.8 |
| 冗長性 | 6.5 | 5.3 | 6.9 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 12% PEG3350, 0.2 M potassium nitrate |
