1PQW
Putative enoyl reductase domain of polyketide synthase
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X4A |
Synchrotron site | NSLS |
Beamline | X4A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-04-01 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.97917, 0.97942, 0.96864 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 69.830, 78.391, 81.604 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 17.970 - 2.660 |
Rwork | 0.197 |
R-free | 0.22800 |
Structure solution method | MAD |
RMSD bond length | 0.007 |
RMSD bond angle | 1.400 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SOLVE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 17.970 | 2.740 |
High resolution limit [Å] | 2.660 | 2.650 |
Rmerge | 0.076 | 0.160 |
<I/σ(I)> | 25.8 | 15 |
Completeness [%] | 98.9 | 99.7 |
Redundancy | 6 | 6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | PEG 4000, isopropanol calcium chloride, Tris, NADPH , pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |