3EOL
2.0A crystal structure of isocitrate lyase from Brucella melitensis (P43212)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-07-09 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.00 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 79.702, 79.702, 281.595 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 2.000 |
R-factor | 0.223 |
Rwork | 0.221 |
R-free | 0.26300 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.200 |
Data scaling software | d*TREK (9.7L) |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 39.840 | 39.840 | 2.070 |
High resolution limit [Å] | 2.000 | 4.310 | 2.000 |
Rmerge | 0.156 | 0.067 | 0.625 |
Total number of observations | 37248 | 47498 | |
Number of reflections | 62451 | ||
<I/σ(I)> | 16 | 2.1 | |
Completeness [%] | 99.9 | 99.4 | 100 |
Redundancy | 6.64 | 5.4 | 7.78 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 289 | 20% PEG 8000, 0.05M KH2PO4, VAPOR DIFFUSION, temperature 289K |