5KJL
SMYD2 in complex with AZ378
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-03-02 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.9724 |
Spacegroup name | I 4 |
Unit cell lengths | 155.098, 155.098, 52.553 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 109.670 - 2.700 |
R-factor | 0.176 |
Rwork | 0.172 |
R-free | 0.23600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3s7b |
RMSD bond length | 0.010 |
RMSD bond angle | 1.230 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | BUSTER (2.11.7) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 109.670 | 2.850 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.075 | 0.432 |
Number of reflections | 16893 | |
<I/σ(I)> | 10.7 | 2 |
Completeness [%] | 97.0 | 86.4 |
Redundancy | 2.8 | 2.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 20% PEG 3350, 0.1 M Tris-HCl, 5% ethanol |