3HXU
Crystal Structure of catalytic fragment of E. coli AlaRS in complex with AlaSA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-1 |
Synchrotron site | SSRL |
Beamline | BL9-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-04-15 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.97950 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 114.754, 114.754, 125.370 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.100 |
R-factor | 0.155 |
Rwork | 0.154 |
R-free | 0.19100 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 0.975 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.180 |
High resolution limit [Å] | 2.100 | 4.520 | 2.100 |
Rmerge | 0.074 | 0.044 | 0.215 |
Number of reflections | 49672 | ||
<I/σ(I)> | 41.456 | ||
Completeness [%] | 100.0 | 100 | 100 |
Redundancy | 14 | 13.2 | 14.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.8 | 277 | 30% PEG 400, 0.1 M HEPES, pH 7.8, vapor diffusion, sitting drop, temperature 277K |