4LMI
Crystal structure of putative ketosteroid isomerase from Kribbella flavida DSM 17836
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-06-20 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97929 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 48.536, 69.873, 94.809 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.800 |
R-factor | 0.1606 |
Rwork | 0.158 |
R-free | 0.20980 |
Structure solution method | SAD |
RMSD bond length | 0.006 |
RMSD bond angle | 1.085 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | HKL-3000 |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.830 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.067 | 0.910 |
Number of reflections | 30387 | |
<I/σ(I)> | 35.7 | 1.98 |
Completeness [%] | 98.6 | 97.8 |
Redundancy | 7.2 | 7.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 297 | 0.2 M di-Ammonium hydrogen Citrate, 20% PEG 3350, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 297K |