3EGR
CRYSTAL STRUCTURE OF A PHENYLACETATE-COA OXYGENASE SUBUNIT PAAB (REUT_A2307) FROM RALSTONIA EUTROPHA JMP134 AT 2.65 A RESOLUTION
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-06-26 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.91162, 0.97966, 0.97951 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 93.260, 93.260, 114.698 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.566 - 2.650 |
R-factor | 0.19 |
Rwork | 0.188 |
R-free | 0.22600 |
Structure solution method | MAD |
RMSD bond length | 0.013 |
RMSD bond angle | 1.552 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.2.5) |
Phasing software | SHELX |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.566 | 29.570 | 2.720 |
High resolution limit [Å] | 2.650 | 11.850 | 2.650 |
Rmerge | 0.155 | 0.060 | 0.809 |
Total number of observations | 992 | 6904 | |
Number of reflections | 9062 | ||
<I/σ(I)> | 15.8 | 38.3 | 3.1 |
Completeness [%] | 99.9 | 94.1 | 100 |
Redundancy | 10.4 | 7.9 | 10.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | 0.2000M KThioCyanate, 20.0000% PEG-3350, No Buffer pH 7.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |