1RRY
DHNA complexed with 2-amino-4-hydroxy-5-carboxyethylpyrimidine
Experimental procedure
実験手法 | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | MARRESEARCH |
Wavelength(s) | 1.54 |
Spacegroup name | I 4 2 2 |
格子定数 [Å] | 60.947, 60.947, 123.689 |
格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
残基 | 35.360 - 2.700 |
Rwork | 0.229 |
R-free | 0.30500 |
Structure solution method | FOURIER SYNTHESIS |
結合長の平均二乗偏差(RMSD) [Å] | 0.006 |
結合角の平均二乗偏差(RMSD) [度] | 1.200 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | X-PLOR |
Refinement software | CNX (2000) |
Quality characteristics
Overall | Outer shell | |
分解能 [Å] (低) | 35.560 | 2.870 |
分解能 [Å] (高) | 2.700 | 2.700 |
独立反射数 | 2816 | |
完全性 [%] | 81.4 | 85.4 |
結晶化条件
結晶ID | 方法 | pH | 温度 | 溶液条件 |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 289 | 0.2 M Ammonium Acetate, 0.1 M tri-sodium citrate pH 5.6, 30% MPD, VAPOR DIFFUSION, HANGING DROP, temperature 289K |