3BOJ
Carbonic anhydrase from marine diatom Thalassiosira weissflogii- cadmium bound domain 1 without bound metal (CDCA1-R1)
Experimental procedure
実験手法 | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X29A |
Synchrotron site | NSLS |
Beamline | X29A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-06-19 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0809 |
Spacegroup name | P 21 21 21 |
格子定数 [Å] | 46.308, 59.206, 79.614 |
格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
残基 | 33.040 - 1.450 |
R因子 | 0.184 |
Rwork | 0.182 |
R-free | 0.20900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | CDCA1-R1 cadmium bound form PDB entry 3BOH |
結合長の平均二乗偏差(RMSD) [Å] | 0.007 |
結合角の平均二乗偏差(RMSD) [度] | 1.500 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | CNS (1.1) |
Quality characteristics
Overall | Outer shell | |
分解能 [Å] (低) | 50.000 | 1.500 |
分解能 [Å] (高) | 1.450 | 1.450 |
独立反射数 | 39051 | |
完全性 [%] | 98.9 | 90.1 |
冗長性 | 6.1 | 2.5 |
結晶化条件
結晶ID | 方法 | pH | 温度 | 溶液条件 |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 298 | 0.5 M NaH2PO4, 1.4 M K2HPO4, 0.1M sodium acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |