3B8L
CRYSTAL STRUCTURE OF A PUTATIVE AROMATIC RING HYDROXYLASE (SARO_3538) FROM NOVOSPHINGOBIUM AROMATICIVORANS DSM AT 1.75 A RESOLUTION
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.2 |
Synchrotron site | ALS |
Beamline | 8.2.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-08-30 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.0000, 0.9798, 0.9796 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 95.850, 95.850, 232.300 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.540 - 1.750 |
R-factor | 0.169 |
Rwork | 0.167 |
R-free | 0.19900 |
Structure solution method | MAD |
RMSD bond length | 0.016 |
RMSD bond angle | 1.477 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | SHELX |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 29.540 | 29.540 | 1.810 |
High resolution limit [Å] | 1.750 | 3.760 | 1.750 |
Rmerge | 0.091 | 0.026 | 0.736 |
Number of reflections | 109179 | 21004 | 18991 |
<I/σ(I)> | 12.12 | 40.4 | 1.6 |
Completeness [%] | 99.4 | 99.7 | 94.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 277 | NANODROP, 30.0% Glycerol, 5.6% PEG 4000, 0.1M Acetate pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 277K |