3W8Z
The complex structure of EncM with hydroxytetraketide
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 | 2010-12-15 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 71.070, 85.120, 79.340 |
Unit cell angles | 90.00, 99.58, 90.00 |
Refinement procedure
Resolution | 42.600 - 1.800 |
R-factor | 0.15978 |
Rwork | 0.158 |
R-free | 0.19581 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3w8w |
RMSD bond length | 0.022 |
RMSD bond angle | 2.161 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.600 | 1.900 |
High resolution limit [Å] | 1.800 | 1.800 |
Number of reflections | 86217 | |
Completeness [%] | 99.9 | 99.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 2mM DTT, 0.1M HEPES-Na (pH 7.5), 0.2M calcium acetate, 20% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 277K |