3MCS
Crystal structure of Putative monooxygenase (FN1347) from FUSOBACTERIUM NUCLEATUM SUBSP. NUCLEATUM ATCC 25586 at 2.55 A resolution
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-12-03 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.91837,0.97925,0.97894 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 51.851, 66.243, 66.763 |
Unit cell angles | 90.00, 98.41, 90.00 |
Refinement procedure
Resolution | 29.607 - 2.550 |
R-factor | 0.217 |
Rwork | 0.212 |
R-free | 0.26100 |
Structure solution method | MAD |
RMSD bond length | 0.012 |
RMSD bond angle | 1.405 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELX |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.607 | 29.607 | 2.640 |
High resolution limit [Å] | 2.550 | 5.460 | 2.550 |
Rmerge | 0.078 | 0.028 | 0.654 |
Number of reflections | 14638 | 2875 | 2693 |
<I/σ(I)> | 9 | 22 | 1.3 |
Completeness [%] | 97.9 | 97.7 | 95.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 277 | 0.2000M NH4OAc, 30.0000% PEG-4000, 0.1M Citrate pH 5.6, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |