2A3F
Crystal structure of nitrophorin 2 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 | 2004-04-08 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9000 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 39.608, 125.773, 33.395 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 26.000 - 1.400 |
R-factor | 0.1794 |
Rwork | 0.178 |
R-free | 0.21391 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1euo |
RMSD bond length | 0.022 |
RMSD bond angle | 1.988 |
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] | 26.000 | 1.450 |
High resolution limit [Å] | 1.400 | 1.400 |
Number of reflections | 31128 | |
<I/σ(I)> | 20 | 1.5 |
Completeness [%] | 92.0 | 93 |
Redundancy | 5.5 | 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 |