4LN9
Crystal structure of the dehydratase domain from the terminal module of the rifamycin polyketide synthase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-01-29 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.2131 |
Spacegroup name | P 32 |
Unit cell lengths | 77.180, 77.180, 97.920 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 39.500 - 1.820 |
R-factor | 0.21353 |
Rwork | 0.211 |
R-free | 0.25361 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3el6 |
RMSD bond length | 0.004 |
RMSD bond angle | 0.759 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASES |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.500 | 1.920 |
High resolution limit [Å] | 1.820 | 1.820 |
Number of reflections | 58168 | |
<I/σ(I)> | 10.6 | 2 |
Completeness [%] | 100.0 | 99.9 |
Redundancy | 5.3 | 4.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.8 | 295 | 1.1 M sodium citrate, 0.1 M HEPES pH 6.8, VAPOR DIFFUSION, SITTING DROP, temperature 295K |