3R4I
Crystal structure of a Citrate lyase (Bxe_B2899) from BURKHOLDERIA XENOVORANS LB400 at 2.24 A resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL11-1 |
Synchrotron site | SSRL |
Beamline | BL11-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-06-10 |
Detector | MARMOSAIC 325 mm CCD |
Spacegroup name | P 3 |
Unit cell lengths | 148.468, 148.468, 79.570 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.598 - 2.240 |
R-factor | 0.1532 |
Rwork | 0.151 |
R-free | 0.17370 |
Structure solution method | SAD |
RMSD bond length | 0.007 |
RMSD bond angle | 0.956 |
Data reduction software | XDS |
Data scaling software | XSCALE (January 30, 2009) |
Phasing software | SHELX |
Refinement software | PHENIX (1.6.4) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.598 | 2.320 | |
High resolution limit [Å] | 2.240 | 4.810 | 2.240 |
Rmerge | 0.062 | 0.019 | 0.527 |
Number of reflections | 93682 | 18560 | 18127 |
<I/σ(I)> | 12.36 | 36.7 | 1.8 |
Completeness [%] | 96.8 | 97.3 | 96 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.33 | 277 | 44.0% polyethylene glycol 600, 0.15M calcium acetate, 0.1M sodium cacodylate pH 6.33, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K |