5E26
Crystal structure of human PANK2: the catalytic core domain in complex with pantothenate and adenosine diphosphate
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 | 2015-08-14 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97934 |
Spacegroup name | P 21 21 21 |
格子定数 [Å] | 108.874, 109.717, 142.571 |
格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
残基 | 50.010 - 2.140 |
R因子 | 0.2146 |
Rwork | 0.214 |
R-free | 0.25050 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3sms |
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] | 1.282 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0131) |
Quality characteristics
Overall | Inner shell | Outer shell | |
分解能 [Å] (低) | 50.000 | 100.000 | 2.180 |
分解能 [Å] (高) | 2.140 | 5.810 | 2.140 |
Rmerge_l_obs | 0.150 | 0.078 | 0.940 |
Rmeas | 0.157 | 0.084 | |
Rpim | 0.057 | 0.030 | 0.351 |
Total number of observations | 779699 | ||
独立反射数 | 96028 | ||
<I/σ(I)> | 5.1 | ||
完全性 [%] | 100.0 | 99.7 | 100 |
冗長性 | 8.1 | 7.6 | 8.1 |
CC(1/2) | 0.996 | 0.791 |
結晶化条件
結晶ID | 方法 | pH | 温度 | 溶液条件 |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | 2.4M Na Malonate pH 6.5, 0.1M TCEP HCl |