3MNS
Investigation of global and local effects of radiation damage on porcine pancreatic elastase. Third stage of radiation damage
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-11-26 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 21 21 21 |
| 格子定数 [Å] | 50.169, 57.782, 74.543 |
| 格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
| 残基 | 45.668 - 1.497 |
| R因子 | 0.141 |
| Rwork | 0.140 |
| R-free | 0.16840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1gvk |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.008 |
| 結合角の平均二乗偏差(RMSD) [度] | 1.037 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | AMoRE |
| Refinement software | PHENIX ((phenix.refine)) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 50.000 | 1.530 |
| 分解能 [Å] (高) | 1.500 | 1.500 |
| Rmerge_l_obs | 0.036 | 0.778 |
| 独立反射数 | 35266 | |
| <I/σ(I)> | 33.4 | 2.64 |
| 完全性 [%] | 100.0 | 100 |
| 冗長性 | 7.1 | 7.1 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.2 | 297 | The initial concentration of the protein was 10 mg/ml in water. The reservoir contained 25 mM Na2SO4, pH = 8.2. The cryo-solution contained 25 mM Na2SO4 and 25% glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 297K |
