4XSB
Determining the Molecular Basis for Starter Unit Selection During Daunorubicin Biosynthesis
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 | 2013-01-31 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9999 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 91.382, 91.382, 315.783 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 49.364 - 2.203 |
R-factor | 0.1802 |
Rwork | 0.178 |
R-free | 0.22490 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.057 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.280 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.113 | 0.819 |
Number of reflections | 40709 | |
<I/σ(I)> | 18.4 | 2.6 |
Completeness [%] | 99.9 | 100 |
Redundancy | 10.1 | 10.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.18 M sodium citrate, 26% PEG3350 |