5ZY8
Crystal structure of C terminal truncated HadBC (3R-Hydroxyacyl-ACP Dehydratase) complex from Mycobacterium tuberculosis
Experimental procedure
実験手法 | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2018-02-16 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 31 2 1 |
格子定数 [Å] | 119.417, 119.417, 99.177 |
格子定数 [度] | 90.00, 90.00, 120.00 |
精密化法
残基 | 19.544 - 2.899 |
R因子 | 0.1877 |
Rwork | 0.186 |
R-free | 0.22800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4rlj |
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] | 1.234 |
Data reduction software | XDS |
Data scaling software | SCALA (3.3.22) |
Phasing software | MOLREP |
Refinement software | PHENIX (1.11.1_2575) |
Quality characteristics
Overall | Inner shell | Outer shell | |
分解能 [Å] (低) | 103.418 | 19.544 | 3.060 |
分解能 [Å] (高) | 2.899 | 9.170 | 2.900 |
Rmerge_l_obs | 0.024 | 1.026 | |
Rmeas | 0.152 | 0.025 | 1.061 |
Rpim | 0.039 | 0.007 | 0.269 |
独立反射数 | 18426 | 578 | 2644 |
<I/σ(I)> | 21.7 | 25.1 | 0.8 |
完全性 [%] | 99.6 | 90.3 | 99.7 |
冗長性 | 15 | 12.7 | 15.2 |
結晶化条件
結晶ID | 方法 | pH | 温度 | 溶液条件 |
1 | VAPOR DIFFUSION, HANGING DROP | 7.1 | 298 | 2% v/v 1,4-dioxane, 0.1M Tris HCl, 15% PEG 3350 |