1RS4
DHNA, 7,8-Dihydroneopterin Aldolase complexed with 3-(5-Amino-7-hydroxy-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)-N-(3,5-dichlorobenzyl)-benzamide
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 | 19.270 - 2.700 |
Rwork | 0.263 |
R-free | 0.29500 |
Structure solution method | FOURIER SYNTHESIS |
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] | 1.300 |
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) | 19.270 | 2.870 |
分解能 [Å] (高) | 2.700 | 2.700 |
独立反射数 | 2989 | |
完全性 [%] | 86.9 | 69.7 |
結晶化条件
結晶ID | 方法 | pH | 温度 | 溶液条件 |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 0.2M Ammonium Acetate, 0.1M tri-sodium citrate pH 5.6, 30% MPD, VAPOR DIFFUSION, HANGING DROP |