3DXI
Crystal structure of the N-terminal domain of a putative aldolase (BVU_2661) from Bacteroides vulgatus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X12C |
Synchrotron site | NSLS |
Beamline | X12C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-07-18 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 0.9790 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 57.258, 65.639, 177.835 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.810 - 2.040 |
R-factor | 0.223 |
Rwork | 0.197 |
R-free | 0.23160 |
Structure solution method | SAD |
RMSD bond length | 0.006 |
RMSD bond angle | 1.400 |
Data reduction software | DENZO |
Data scaling software | HKL-2000 |
Phasing software | SHELX (& SHARP) |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.110 |
High resolution limit [Å] | 2.040 | 2.040 |
Rmerge | 0.136 | 0.539 |
Number of reflections | 42720 | |
Completeness [%] | 98.3 | 95.8 |
Redundancy | 12.1 | 10.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 293 | PEG3350, Ammonium Acetate, Sodium Citrate, Ethyl acetate, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K |