2AAN
Auracyanin A: A "blue" copper protein from the green thermophilic photosynthetic bacterium,chloroflexus aurantiacus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX II BEAMLINE I911-5 |
Synchrotron site | MAX II |
Beamline | I911-5 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-03-07 |
Detector | MARRESEARCH |
Wavelength(s) | 0.96868 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 70.578, 70.578, 45.665 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 18.000 - 1.850 |
R-factor | 0.16436 |
Rwork | 0.162 |
R-free | 0.20703 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | auracyanin B |
RMSD bond length | 0.015 |
RMSD bond angle | 1.586 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.898 |
High resolution limit [Å] | 1.850 | 1.850 |
Rmerge | 0.086 | 0.320 |
Number of reflections | 9667 | |
Completeness [%] | 95.6 | 99.3 |
Redundancy | 10.8 | 10 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.2 | 277 | Lithium sulfate, sodium citrate, pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 277K |