4ERA
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-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-02-24 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 42 21 2 |
| Unit cell lengths | 90.033, 90.033, 167.314 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 83.660 - 2.398 |
| R-factor | 0.21898 |
| Rwork | 0.215 |
| R-free | 0.29569 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2hbx |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.464 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 83.660 | 2.440 |
| High resolution limit [Å] | 2.398 | 2.398 |
| Rmerge | 0.101 | 0.610 |
| Number of reflections | 26385 | |
| <I/σ(I)> | 40.5 | 2.89 |
| Completeness [%] | 99.1 | 94.1 |
| Redundancy | 13.9 | 9.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.75 | 298 | 15% PEG 5000, 0.1M Tris, 0.2M MGCL2, pH 8.75, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
