2FIE
Structure of human liver FBPase complexed with potent benzoxazole allosteric inhibitors
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-06-22 |
Detector | ADSC QUANTUM 4 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 67.369, 83.327, 277.556 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.950 - 2.810 |
R-factor | 0.23 |
Rwork | 0.197 |
R-free | 0.26600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | entry 2fhy |
RMSD bond length | 0.008 |
RMSD bond angle | 1.400 |
Data reduction software | XDS |
Data scaling software | HKL-2000 |
Phasing software | CNX |
Refinement software | CNX (2002) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.900 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.160 | 0.453 |
Number of reflections | 36725 | |
<I/σ(I)> | 11.2 | 2.9 |
Completeness [%] | 97.6 | 78.6 |
Redundancy | 6.4 | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 8 | 290 | Crystals grown under oil (3:1 parafin:silicon oil). 2 uL+2uL drops. Well solution: 14-18% PEG1000, 0.1 M Tris pH 8.0 Cryo: quick immersion in: 16% PEG1000, 20% PEG400,0.1 M Tris pH 8.0, temperature 290K |