1DS0
CRYSTAL STRUCTURE OF CLAVAMINATE SYNTHASE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SRS BEAMLINE PX9.6 |
Synchrotron site | SRS |
Beamline | PX9.6 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Detector | MARRESEARCH |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 66.980, 67.330, 68.430 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.630 |
Rwork | 0.180 |
R-free | 0.22800 |
RMSD bond length | 0.015 |
RMSD bond angle | 2.000 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MLPHARE |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 1.690 |
High resolution limit [Å] | 1.630 | 1.630 |
Rmerge | 0.048 * | 0.091 |
Total number of observations | 106073 * | |
Number of reflections | 35608 * | |
<I/σ(I)> | 27.4 | |
Completeness [%] | 91.4 * | 74.6 |
Redundancy | 3.28 | 2.61 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 21 * | macroseeding * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | Tris-HCl | 100 (mM) | |
2 | 1 | reservoir | ammonium sulfate | 2 (M) |