6RS7
X-ray crystal structure of LsAA9B (deglycosylated form)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX II BEAMLINE I911-3 |
Synchrotron site | MAX II |
Beamline | I911-3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-02-11 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.0000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 35.080, 72.990, 79.060 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 1.600 |
R-factor | 0.15476 |
Rwork | 0.152 |
R-free | 0.21142 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3eja |
RMSD bond length | 0.009 |
RMSD bond angle | 1.475 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.700 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmeas | 0.084 | 0.820 |
Number of reflections | 27139 | 4106 |
<I/σ(I)> | 14.39 | 1.94 |
Completeness [%] | 98.5 | 91.7 |
Redundancy | 5.81 | 3.59 |
CC(1/2) | 0.998 | 0.766 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 16%(w/v) MPD (racemic) 16%(w/v) PEG 1000 16%(w/v) PEG 3350 20 mM of Glutamate, Alanine, Glycine, Lysine, and Serine (some racemic). 30 mM of each of NaNO3; Na2HPO4; (NH4)2SO4 100 mM Imidazole/MES 0.1 M (pH6.5) |