3GEK
Crystal structure of putative thioesterase yhdA from Lactococcus lactis. Northeast Structural Genomics Consortium Target KR113
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-02-18 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 59.948, 64.056, 144.657 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.180 - 2.240 |
| R-factor | 0.2253 |
| Rwork | 0.224 |
| R-free | 0.25548 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1vh5 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.065 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | BALBES |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.320 |
| High resolution limit [Å] | 2.240 | 2.240 |
| Rmerge | 0.069 | 0.410 |
| Number of reflections | 51899 | |
| <I/σ(I)> | 27.8 | 6.3 |
| Completeness [%] | 98.7 | 87.7 |
| Redundancy | 7.6 | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 14% PEG 3350, 20% Ethylene glycol, 0.2M CaCl2, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
