3PVT
The Phenylacetyl-CoA monooxygenase PaaAC subcomplex with 3-hydroxybutanoyl-CoA
Experimental procedure
実験手法 | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 77.2 |
Detector technology | CCD |
Collection date | 2009-11-17 |
Detector | RAYONIX MX-300 |
Spacegroup name | P 41 21 2 |
格子定数 [Å] | 77.366, 77.366, 301.412 |
格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
残基 | 42.133 - 2.030 |
R因子 | 0.1972 |
Rwork | 0.195 |
R-free | 0.22990 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1otk |
結合長の平均二乗偏差(RMSD) [Å] | 0.010 |
結合角の平均二乗偏差(RMSD) [度] | 1.148 |
Data reduction software | HKL-3000 |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC |
Quality characteristics
Overall | Inner shell | Outer shell | |
分解能 [Å] (低) | 42.133 | 50.000 | 2.100 |
分解能 [Å] (高) | 2.030 | 4.370 | 2.030 |
Rmerge_l_obs | 0.063 | 0.044 | 0.382 |
独立反射数 | 59960 | ||
<I/σ(I)> | 11.8 | ||
完全性 [%] | 99.3 | 99.5 | 94.8 |
冗長性 | 10 | 12.4 | 4.1 |
結晶化条件
結晶ID | 方法 | pH | 温度 | 溶液条件 |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 100 mM PIPES, 5% PEG550 MME, 5% isopropanol, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |