6OJV
Crystal structure of human thymidylate synthase delta(7-29) in complex with dUMP and 2-amino-4-oxo-4,7-dihydro-pyrrolo[2,3-d]pyrimidine-methyl-phenyl-L-glutamic acid
Experimental procedure
実験手法 | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-E |
Synchrotron site | APS |
Beamline | 24-ID-E |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-07-06 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97915 |
Spacegroup name | C 1 2 1 |
格子定数 [Å] | 154.950, 103.033, 109.211 |
格子定数 [度] | 90.00, 128.92, 90.00 |
精密化法
残基 | 48.556 - 2.593 |
R因子 | 0.2417 |
Rwork | 0.240 |
R-free | 0.26880 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1hzw |
結合長の平均二乗偏差(RMSD) [Å] | 0.002 |
結合角の平均二乗偏差(RMSD) [度] | 0.511 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10.1_2155)) |
Quality characteristics
Overall | Outer shell | |
分解能 [Å] (低) | 50.000 | 2.750 |
分解能 [Å] (高) | 2.590 | 2.590 |
独立反射数 | 41155 | 6486 |
<I/σ(I)> | 12.75 | 1.44 |
完全性 [%] | 98.7 | 97.1 |
冗長性 | 6.6 | 6.4 |
CC(1/2) | 0.996 | 0.807 |
結晶化条件
結晶ID | 方法 | pH | 温度 | 溶液条件 |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 295.15 | Well solution 5% PEG 8000, 40% MPD, and 0.1M Na cacodylate Drop ratio 1:1 Enzyme mix/well solution |