1R2J
FkbI for Biosynthesis of Methoxymalonyl Extender Unit of Fk520 Polyketide Immunosuppresant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2002-05-24 |
Detector | ADSC QUANTUM 4 |
Spacegroup name | I 41 |
Unit cell lengths | 116.550, 116.550, 126.160 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.810 - 2.100 |
R-factor | 0.247 |
Rwork | 0.247 |
R-free | 0.26200 * |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 2.250 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 100.000 | 2.140 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.078 | 0.333 |
Total number of observations | 904612 * | |
Number of reflections | 49048 | |
<I/σ(I)> | 25 | 6 |
Completeness [%] | 100.0 | 100 |
Redundancy | 18.4 * |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, sitting drop * | 7 * | 293 | 20% PEG 4000, 100 mM HEPES 7.5 and 2 mM DTT, VAPOR DIFFUSION, SITTING DROP, pH 7.50 |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | PEG4000 | 20 (%) | |
2 | 1 | reservoir | HEPES | 100 (mM) | pH7.5 |
3 | 1 | reservoir | dithiothreitol | 2 (mM) | |
4 | 1 | drop | protein | 4 (mg/ml) | |
5 | 1 | drop | HEPES | 10 (mM) | pH7.0 |
6 | 1 | drop | dithiothreitol | 2 (mM) |