3SJU
Hedamycin Polyketide Ketoreductase bound to NADPH
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.2 |
Synchrotron site | ALS |
Beamline | 8.2.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-05-15 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.99990 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 116.698, 57.392, 82.106 |
Unit cell angles | 90.00, 131.61, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.400 |
R-factor | 0.1855 |
Rwork | 0.182 |
R-free | 0.24820 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.016 |
RMSD bond angle | 1.769 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER (2.1.4) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.480 |
High resolution limit [Å] | 2.390 | 5.150 | 2.390 |
Rmerge | 0.085 | 0.055 | 0.235 |
Number of reflections | 15891 | ||
<I/σ(I)> | 13.7 | ||
Completeness [%] | 99.6 | 100 | 96.7 |
Redundancy | 7.2 | 7.2 | 6.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 288 | 0.1 M imidazole pH 6.2, 50% MPD, VAPOR DIFFUSION, HANGING DROP, temperature 288K |