3FDB
Crystal structure of a putative plp-dependent beta-cystathionase (aecd, dip1736) from corynebacterium diphtheriae at 1.99 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 | 2008-08-03 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.91837,0.97934,0.97922 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 69.180, 69.180, 215.460 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.961 - 1.990 |
R-factor | 0.149 |
Rwork | 0.147 |
R-free | 0.17500 |
Structure solution method | MAD |
RMSD bond length | 0.018 |
RMSD bond angle | 1.471 |
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] | 29.961 | 29.961 | 1.980 |
High resolution limit [Å] | 1.990 | 4.100 | 1.910 |
Rmerge | 0.061 | 0.027 | 0.730 |
Number of reflections | 47285 | 9039 | 9056 |
<I/σ(I)> | 10.77 | 29.9 | 1.5 |
Completeness [%] | 99.1 | 99.4 | 98.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | 0.2000M MgCl2, 10.0000% PEG-3000, 0.1M Cacodylate pH 6.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |