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 |