3ADA
Heterotetrameric Sarcosine Oxidase from Corynebacterium sp. U-96 in complex with sulfite
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
Synchrotron site | Photon Factory |
Beamline | AR-NW12A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-03-14 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.0000 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 198.797, 198.797, 197.077 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 69.980 - 2.200 |
R-factor | 0.19096 |
Rwork | 0.189 |
R-free | 0.23247 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1x31 |
RMSD bond length | 0.025 |
RMSD bond angle | 2.019 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 70.010 | 2.320 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.060 | 0.311 |
Number of reflections | 115456 | |
<I/σ(I)> | 23.7 | 8 |
Completeness [%] | 99.8 | 99.4 |
Redundancy | 11 | 11 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 0.1M TRIS-HCL, 1.9M AMMONIUM SULFATE, 10MM CUSO4, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |