6BMG
Structure of Recombinant Dwarf Sperm Whale Myoglobin (Oxy)
Experimental procedure
実験手法 | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-12-16 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.0332 |
Spacegroup name | P 41 21 2 |
格子定数 [Å] | 85.995, 85.995, 109.010 |
格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
残基 | 29.286 - 1.880 |
R因子 | 0.1558 |
Rwork | 0.154 |
R-free | 0.19030 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2mbw |
結合長の平均二乗偏差(RMSD) [Å] | 0.017 |
結合角の平均二乗偏差(RMSD) [度] | 1.299 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((1.12_2829: ???)) |
Quality characteristics
Overall | Inner shell | Outer shell | |
分解能 [Å] (低) | 29.290 | 29.290 | 1.920 |
分解能 [Å] (高) | 1.880 | 9.020 | 1.880 |
Rmerge_l_obs | 0.098 | 0.025 | 1.396 |
Rmeas | 0.107 | 0.027 | 1.518 |
Rpim | 0.042 | 0.011 | 0.590 |
Total number of observations | 218789 | ||
独立反射数 | 33947 | 370 | 2162 |
<I/σ(I)> | 14.5 | ||
完全性 [%] | 99.9 | 97.4 | 100 |
冗長性 | 6.4 | 5.6 | 6.5 |
CC(1/2) | 0.999 | 0.999 | 0.557 |
結晶化条件
結晶ID | 方法 | pH | 温度 | 溶液条件 |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.1 M sodium HEPES, pH 7.5, 1 M sodium acetate, 0.05 M cadmium sulfate 8/3-hydrate |