4U4M
Crystal structure of 0.5M urea unfolded YagE, a KDG aldolase protein in complex with Pyruvate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-05-28 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9747 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 141.400, 155.640, 55.920 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.880 - 3.090 |
| R-factor | 0.21349 |
| Rwork | 0.212 |
| R-free | 0.24315 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2v8z |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.341 |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.880 | 3.200 |
| High resolution limit [Å] | 3.090 | 3.090 |
| Rmerge | 0.220 | 0.622 |
| Number of reflections | 23206 | |
| <I/σ(I)> | 11.88 | 5.17 |
| Completeness [%] | 99.7 | 99.69 |
| Redundancy | 10.9 | 11.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH | 6.5 | 298 | 15% PEG3350, 200mM MgCl2, 100mM HEPES pH 6.5 |
