4HYR
Structure of putative Glucarate dehydratase from Acidaminococcus sp. D21 with unusual static disorder
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-06-16 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 88.916, 88.916, 236.218 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.690 - 1.840 |
| R-factor | 0.1647 |
| Rwork | 0.163 |
| R-free | 0.19970 |
| Structure solution method | AB INITIO PHASING |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.433 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | HKL2Map |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.870 |
| High resolution limit [Å] | 1.840 | 4.990 | 1.840 |
| Rmerge | 0.116 | 0.059 | 0.970 |
| Number of reflections | 82827 | ||
| <I/σ(I)> | 37.238 | 3.875 | |
| Completeness [%] | 99.5 | 99.9 | 90.2 |
| Redundancy | 23.8 | 20.4 | 22.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 298 | 0.1M Bis-Tris pH 5.5, 25% PEG 3350, Vapor diffusion, Sitting drop, temperature 298K |
