3K9Z
Rational Design of a Structural and Functional Nitric Oxide Reductase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X12C |
Synchrotron site | NSLS |
Beamline | X12C |
Temperature [K] | 298 |
Detector technology | CCD |
Collection date | 2009-08-20 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 1.7309 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 39.600, 48.240, 77.480 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 8.000 - 1.720 |
Rwork | 0.243 |
Structure solution method | AB INITIO |
RMSD bond length | 0.007 |
RMSD bond angle | 1.962 |
Phasing software | SHELX |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.780 |
High resolution limit [Å] | 1.720 | 1.720 |
Number of reflections | 13961 | |
Completeness [%] | 98.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 7 | 298 | pH 7, EVAPORATION, temperature 298K |