3FZ5
Crystal structure of possible 2-hydroxychromene-2-carboxylate isomerase from Rhodobacter sphaeroides
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-11-15 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97920, 0.97940 |
| Spacegroup name | P 1 |
| Unit cell lengths | 47.769, 48.724, 95.206 |
| Unit cell angles | 94.61, 100.46, 90.10 |
Refinement procedure
| Resolution | 50.000 - 2.400 |
| R-factor | 0.20696 |
| Rwork | 0.204 |
| R-free | 0.26003 |
| Structure solution method | MAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.554 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.5.0054) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.420 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.138 | 0.632 |
| Number of reflections | 32314 | |
| <I/σ(I)> | 13.61 | 3.03 |
| Completeness [%] | 98.3 | 97.6 |
| Redundancy | 3.6 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 297 | 20% PEG 8000, 0.1 M MES pH 6.0, 0.2 M Ca(OAc)2, VAPOR DIFFUSION, SITTING DROP, temperature 297K |
