1DS1
CRYSTAL STRUCTURE OF CLAVAMINATE SYNTHASE IN COMPLEX WITH FE(II) AND 2-OXOGLUTARATE
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 | CCD |
Detector | ADSC QUANTUM 4 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 67.080, 67.940, 68.870 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 8.000 - 1.080 |
Rwork | 0.135 |
R-free | 0.16600 |
RMSD bond length | 0.016 |
RMSD bond angle | 2.700 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | SHELXL-97 |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.100 |
High resolution limit [Å] | 1.080 | 1.080 |
Rmerge | 0.108 | 0.699 |
Total number of observations | 802154 * | |
Number of reflections | 126607 | |
<I/σ(I)> | 16.6 | |
Completeness [%] | 92.8 | 57.2 |
Redundancy | 6.34 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 21 * | macroseeding * | |
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) |