3M6Y
Structure of 4-hydroxy-2-oxoglutarate aldolase from bacillus cereus at 1.45 a resolution.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-02-19 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 48.679, 106.187, 88.205 |
| Unit cell angles | 90.00, 90.95, 90.00 |
Refinement procedure
| Resolution | 88.050 - 1.450 |
| R-factor | 0.153 |
| Rwork | 0.152 |
| R-free | 0.18000 |
| Structure solution method | SAD |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.535 |
| Data scaling software | HKL-2000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 88.050 | 1.480 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.076 | 0.503 |
| Number of reflections | 157910 | |
| <I/σ(I)> | 17.015 | 2.5 |
| Completeness [%] | 99.9 | 98.6 |
| Redundancy | 3.7 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 294 | 0.1 M CaCl, 0.1 M HEPES, 30% PEG4000, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 294K |
