4ERG
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 | P 42 21 2 |
| Unit cell lengths | 90.425, 90.425, 167.532 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 83.770 - 2.789 |
| R-factor | 0.20312 |
| Rwork | 0.199 |
| R-free | 0.27317 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2hbx |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.299 |
| 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] | 83.770 | 2.850 |
| High resolution limit [Å] | 2.789 | 2.789 |
| Rmerge | 0.101 | 0.697 |
| Number of reflections | 18010 | |
| <I/σ(I)> | 60.8 | 2.49 |
| Completeness [%] | 99.8 | 99.8 |
| Redundancy | 24.2 | 9.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 17% PEG 5000, 0.1M Tris, 0.2 M MgCl2, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
