4ONV
Crystal structure of YagE, a KDG aldolase protein in complex with 2-Keto-3-deoxy gluconate
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 |
| Wavelength(s) | 0.974 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 141.170, 155.410, 55.510 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.790 - 2.570 |
| R-factor | 0.24848 |
| Rwork | 0.247 |
| R-free | 0.28450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.476 |
| Data scaling software | XSCALE |
| Phasing software | PHASER (2.5.2) |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 19.790 | 2.040 | |
| High resolution limit [Å] | 1.990 | 8.890 | 1.990 |
| Rmerge | 0.405 | 0.035 | 0.035 |
| Number of reflections | 83685 | ||
| <I/σ(I)> | 4.81 | 30.87 | 0.44 |
| Completeness [%] | 98.6 | 87.2 | 91.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Microbatch under oil | 6.5 | 298 | 15%PEG 3350, 100mM Hepes pH 6.5, 200mM MgCl2, Microbatch under oil, temperature 298K |
