2AL0
Crystal structure of nitrophorin 2 ferrous aqua complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 14-BM-C |
Synchrotron site | APS |
Beamline | 14-BM-C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-08-04 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9000 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 34.405, 34.405, 255.181 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 23.000 - 1.600 |
R-factor | 0.18449 |
Rwork | 0.182 |
R-free | 0.22927 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1pee |
RMSD bond length | 0.021 |
RMSD bond angle | 1.893 |
Data reduction software | XDISPLAYF |
Data scaling software | d*TREK |
Refinement software | REFMAC (5.2.0003) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 23.000 | 1.660 |
High resolution limit [Å] | 1.600 | 1.600 |
Number of reflections | 21168 | |
<I/σ(I)> | 21 | 2.6 |
Completeness [%] | 97.0 | 97 |
Redundancy | 4.8 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | sodium citrate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |