Experimental procedure
実験手法 | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-07-01 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
格子定数 [Å] | 436.250, 286.920, 303.840 |
格子定数 [度] | 90.00, 98.90, 90.00 |
精密化法
残基 | 49.690 - 3.000 |
R因子 | 0.2088 |
Rwork | 0.208 |
R-free | 0.25460 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3U5B 3U5C 3U5D 3U5E 3U5F 3U5G 3U5H 3U5I |
結合長の平均二乗偏差(RMSD) [Å] | 0.012 |
結合角の平均二乗偏差(RMSD) [度] | 1.616 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Refinement software | PHENIX ((phenix.refine: dev_1702)) |
Quality characteristics
Overall | Inner shell | Outer shell | |
分解能 [Å] (低) | 49.690 | 3.100 | |
分解能 [Å] (高) | 3.000 | 40.000 | 3.000 |
Rmerge_l_obs | 0.341 | 0.062 | 3.527 |
Rmeas | 0.361 | 0.072 | 3.725 |
Total number of observations | 13621629 | ||
独立反射数 | 1451516 | 280 | 134798 |
<I/σ(I)> | 7.13 | 11.84 | 0.88 |
完全性 [%] | 98.8 | 41.2 | 98.2 |
冗長性 | 9.37 |
結晶化条件
結晶ID | 方法 | pH | 温度 | 溶液条件 |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | PEG 20K, KSCN, Mg Acetate, Tris-Acetate, Glycerol, Spermidine |