3N0Q
Crystal structure of a Putative aromatic-ring hydroxylating dioxygenase (TM1040_3219) from SILICIBACTER SP. TM1040 at 1.80 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 | 2010-02-10 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.91837,0.97949,0.97895 |
Spacegroup name | P 63 |
Unit cell lengths | 97.533, 97.533, 96.522 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 28.155 - 1.800 |
R-factor | 0.156 |
Rwork | 0.154 |
R-free | 0.18600 |
Structure solution method | MAD |
RMSD bond length | 0.014 |
RMSD bond angle | 1.475 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELX |
Refinement software | REFMAC (5.6.0073) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 28.155 | 28.155 | 1.860 |
High resolution limit [Å] | 1.800 | 3.870 | 1.800 |
Rmerge | 0.060 | 0.024 | 0.577 |
Number of reflections | 48265 | 9582 | 8783 |
<I/σ(I)> | 14.33 | 40.4 | 2.16 |
Completeness [%] | 99.3 | 99.5 | 98.9 |
Redundancy | 6.31 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.29 | 277 | 23.8000% polyethylene glycol monomethyl ether 2000, 0.0100M nickel (II) chloride, 0.1M TRIS pH 8.29, NANODROP', VAPOR DIFFUSION, SITTING DROP, temperature 277K |