3O6X
Crystal Structure of the type III Glutamine Synthetase from Bacteroides fragilis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-05-21 |
Detector | MAATEL MDII |
Wavelength(s) | 0.954 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 198.250, 203.960, 234.590 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 62.870 - 3.500 |
Rwork | 0.239 |
R-free | 0.26900 |
Structure solution method | MAD |
RMSD bond length | 0.009 |
RMSD bond angle | 1.400 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.2.25) |
Phasing software | PHENIX |
Refinement software | CNS (1.2) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 62.869 | 62.869 | 3.690 |
High resolution limit [Å] | 3.500 | 11.070 | 3.500 |
Rmerge | 0.208 | 0.034 | 0.472 |
Total number of observations | 14878 | 68419 | |
Number of reflections | 60104 | ||
<I/σ(I)> | 11.2 | 18.1 | 1.6 |
Completeness [%] | 100.0 | 99.5 | 100 |
Redundancy | 7.8 | 7.3 | 7.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | modified microbatch | 4.6 | 298 | 50 mM ammonium sulphate, 25 mM sodium acetate trihydrate pH 4.6, and 6.25% PEG 4000, modified microbatch, temperature 298K |
1 | modified microbatch | 4.6 | 298 | 50 mM ammonium sulphate, 25 mM sodium acetate trihydrate pH 4.6, and 6.25% PEG 4000, modified microbatch, temperature 298K |