3T5Y
Crystal structure of CerJ from Streptomyces tendae - malonic acid covalently linked to the catalytic Cystein C116
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-09-27 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 106.040, 106.040, 121.690 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.410 - 2.120 |
| R-factor | 0.16981 |
| Rwork | 0.168 |
| R-free | 0.20816 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.571 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | REFMAC (- Rigid Body) |
| Refinement software | REFMAC (- Rigid Body) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.180 |
| High resolution limit [Å] | 2.120 | 2.120 |
| Rmerge | 0.674 | |
| Number of reflections | 39874 | |
| <I/σ(I)> | 3.07 | |
| Completeness [%] | 99.7 | 99.9 |
| Redundancy | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 22.5% PEG 4000, 100 mM Tris/HCl pH 8.5, 200 mM sodium acetate, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
