4OFC
2.0 Angstroms X-ray crystal structure of human 2-amino-3-carboxymuconate-6-semialdehye 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 | 2013-02-01 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 88.704, 101.082, 232.820 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.106 - 1.990 |
| R-factor | 0.1988 |
| Rwork | 0.197 |
| R-free | 0.24070 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ih3 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.155 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.7.3_928) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.000 | 2.030 |
| High resolution limit [Å] | 1.990 | 1.990 |
| Rmerge | 0.153 | |
| Number of reflections | 131416 | |
| Completeness [%] | 87.6 | 81.3 |
| Redundancy | 10.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 291 | 0.1 M Bis-Tris, 22% PEG 3350, 0.2 M lithium sulfate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
