3TY3
Crystal structure of homoisocitrate dehydrogenase from Schizosaccharomyces pombe bound to glycyl-glycyl-glycine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-12-05 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97856 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 53.243, 92.854, 75.474 |
Unit cell angles | 90.00, 106.71, 90.00 |
Refinement procedure
Resolution | 19.700 - 1.850 |
R-factor | 0.1948 |
Rwork | 0.193 |
R-free | 0.23000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | CHAINSAW MODEL FROM PDB ENTRY 1X0L |
RMSD bond length | 0.014 |
RMSD bond angle | 1.413 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 20.000 | 20.000 | 1.890 |
High resolution limit [Å] | 1.850 | 4.550 | 1.850 |
Rmerge | 0.072 | 0.036 | 0.415 |
Number of reflections | 60681 | ||
<I/σ(I)> | 13.7 | ||
Completeness [%] | 99.5 | 99.1 | 94.7 |
Redundancy | 6.3 | 6.4 | 3.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | PEG 3550, Li acetate, vapor diffusion, hanging drop, temperature 293K |