2HFK
Pikromycin thioesterase in complex with product 10-deoxymethynolide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-11-08 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.0332 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 108.051, 131.076, 57.512 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.790 |
R-factor | 0.19406 |
Rwork | 0.192 |
R-free | 0.22972 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB id: 1MNA |
RMSD bond length | 0.010 |
RMSD bond angle | 1.172 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.850 |
High resolution limit [Å] | 1.790 | 1.790 |
Number of reflections | 73552 | |
<I/σ(I)> | 23.16 | 2.3 |
Completeness [%] | 94.4 | 68.1 |
Redundancy | 6.6 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.6 | 296 | 1.4M Li2SO4, 80mM MgCl2, 100mM HEPES pH 7.6, 2mM DTT, 5% DMSO, VAPOR DIFFUSION, HANGING DROP, temperature 296K |