4OE7
Crystal structure of YagE, a KDG aldolase protein, in complex with aldol condensed product of pyruvate and glyoxal
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) | 0.97625 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 141.240, 155.140, 55.580 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.060 - 1.990 |
| R-factor | 0.1998 |
| Rwork | 0.198 |
| R-free | 0.23308 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2v8z |
| RMSD bond length | 0.021 |
| RMSD bond angle | 1.896 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 8.890 | 2.040 |
| High resolution limit [Å] | 1.990 | 1.990 |
| Number of reflections | 83414 | |
| <I/σ(I)> | 14.43 | 2.76 |
| Completeness [%] | 98.2 | 87 |
| Redundancy | 4.1 | 3.42 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROBATCH UNDER OIL | 6.5 | 298 | 100mM HEPES pH 6.5, 200mM Magnesium chloride, 15% PEG 3350, MICROBATCH UNDER OIL, temperature 298K |
