3Q63
X-ray crystal structure of protein MLL2253 from Mesorhizobium loti, Northeast Structural Genomics Consortium Target MlR404.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X4A |
Synchrotron site | NSLS |
Beamline | X4A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-10-21 |
Detector | ADSC QUANTUM 4 |
Wavelength(s) | 0.97890 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 40.116, 148.122, 87.391 |
Unit cell angles | 90.00, 98.33, 90.00 |
Refinement procedure
Resolution | 19.990 - 2.000 |
R-factor | 0.202 |
Rwork | 0.202 |
R-free | 0.24400 |
Structure solution method | SAD |
RMSD bond length | 0.006 |
RMSD bond angle | 1.200 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | SHELX (then SOLVE/RESOLVE) |
Refinement software | CNS (1.2 & XtalView) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.147 | 0.300 |
Number of reflections | 136539 | |
<I/σ(I)> | 14.82 | 3.9 |
Completeness [%] | 97.8 | 96.1 |
Redundancy | 6 | 4.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.5 | 277 | Protein solution: 10 mM Tris (pH 7.5), 100 mM sodium chloride, and 5 mM DTT. Reservoir solution: 100mM BIS-TRIS pH 5.5, 25% PEG 3350, and 200mM Lithium sulfate monohydrate, Microbatch, under oil, temperature 277K |