4B2N
Latex Oxygenase RoxA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | EMBL/DESY, HAMBURG BEAMLINE X12 |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | X12 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | MARRESEARCH |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 72.368, 97.106, 101.050 |
Unit cell angles | 90.00, 98.39, 90.00 |
Refinement procedure
Resolution | 35.800 - 1.800 |
R-factor | 0.1707 |
Rwork | 0.168 |
R-free | 0.21960 |
Structure solution method | MAD |
RMSD bond length | 0.019 |
RMSD bond angle | 2.726 |
Data reduction software | HKL |
Data scaling software | SCALEPACK |
Phasing software | SHARP |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.850 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.110 | 0.590 |
Number of reflections | 126052 | |
<I/σ(I)> | 10.4 | 2 |
Completeness [%] | 98.6 | 97 |
Redundancy | 5.1 | 4.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | PEG 8000, HEPES/NAOH PH 7.5 |