4ERI
Evidence for a Dual Role of an Active Site Histidine in alpha-Amino-beta-Carboxymuconate-epsilon-Semialdehyde Decarboxylase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-03-31 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 153.836, 48.561, 110.201 |
| Unit cell angles | 90.00, 126.89, 90.00 |
Refinement procedure
| Resolution | 30.757 - 2.001 |
| R-factor | 0.2071 |
| Rwork | 0.204 |
| R-free | 0.25550 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2hbv |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.098 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.7.3_928)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.061 | 0.228 |
| Number of reflections | 41070 | |
| <I/σ(I)> | 51.1 | 6.02 |
| Completeness [%] | 92.7 | 54.7 |
| Redundancy | 6.3 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.75 | 298 | 0.2 M MgCl2, 0.1 M Tris, 15% PEG 5000, pH 8.75, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
