4GGB
Crystal structure of a proposed galactarolactone cycloisomerase from agrobacterium tumefaciens, TARGET EFI-500704, WITH BOUND CA, DISORDERED LOOPS
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-07-09 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.9793 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 132.178, 132.178, 95.472 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.697 - 2.000 |
| R-factor | 0.1976 |
| Rwork | 0.196 |
| R-free | 0.23350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3sjn |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.151 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALEPACK |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.8_1069) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.092 | 0.680 |
| Number of reflections | 28641 | |
| <I/σ(I)> | 15.1 | 2.5 |
| Completeness [%] | 99.9 | 99.6 |
| Redundancy | 9.6 | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | sitting drop vapor diffuction | 7.5 | 298 | Protein (10 mM Tris pH 7.9, 150 mM NaCl, 5 mM MgCl); Reservoir (0.2M CaCl2, 0.1 M Hepes pH 7.5, 28% Peg400); Cryoprotection (Reservoir), sitting drop vapor diffuction, temperature 298K |
