1YCG
X-ray Structures of Moorella thermoacetica FprA. Novel Diiron Site Structure and Mechanistic Insights into a Scavenging Nitric Oxide Reductase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 110 |
Detector technology | CCD |
Collection date | 2003-11-17 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.98 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 159.680, 159.680, 278.136 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.710 - 2.800 |
R-factor | 0.227 |
Rwork | 0.227 |
R-free | 0.24500 |
Structure solution method | MIR |
RMSD bond length | 0.014 |
RMSD bond angle | 2.000 |
Data reduction software | DENZO |
Data scaling software | CCP4 ((SCALA)) |
Phasing software | CNS |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.980 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.060 | |
Number of reflections | 88890 | |
Completeness [%] | 99.9 | 100 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIQUID DIFFUSION | 6.5 | 298 | 10 % PEG 3000, 200 mM Zinc acetate, 100 mM cacodylate buffer pH 6.5, LIQUID DIFFUSION, temperature 25K |