6N9D
Complex of tissue inhibitor of metalloproteinases-1 (TIMP-1) mutant (L34G/L133P/L151C/G154A) with matrix metalloproteinase-3 catalytic domain (MMP-3cd)
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.1 |
| Synchrotron site | ALS |
| Beamline | 8.2.1 |
| Temperature [K] | 80 |
| Detector technology | CCD |
| Collection date | 2018-05-22 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1 |
| Spacegroup name | P 65 2 2 |
| 格子定数 [Å] | 70.031, 70.031, 319.512 |
| 格子定数 [度] | 90.00, 90.00, 120.00 |
精密化法
| 残基 | 43.990 - 2.670 |
| R因子 | 0.1894 |
| Rwork | 0.184 |
| R-free | 0.25800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1uea |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.009 |
| 結合角の平均二乗偏差(RMSD) [度] | 1.304 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.9_1692) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 43.990 | 2.765 |
| 分解能 [Å] (高) | 2.670 | 2.670 |
| Rmerge_l_obs | 0.247 | |
| Rmeas | 0.253 | |
| 独立反射数 | 14162 | 1374 |
| <I/σ(I)> | 20.11 | 2.16 |
| 完全性 [%] | 100.0 | 100 |
| 冗長性 | 20.4 | 21.1 |
| CC(1/2) | 0.981 | 0.664 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 0.2 M Sodium Acetate, 0.1 M Sodium Cacodylate: HCl, pH 6.5 18 % (w/v) PEG 8000 |
