5TLW
Fructose-1,6-bisphosphate aldolase from rabbit muscle in complex with the inhibitor 1-phosphate-benzene 4-bisphosphonate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-09-14 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 83.857, 102.707, 84.905 |
| Unit cell angles | 90.00, 98.54, 90.00 |
Refinement procedure
| Resolution | 43.809 - 2.290 |
| R-factor | 0.1533 |
| Rwork | 0.152 |
| R-free | 0.19110 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2qut |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.574 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.330 |
| High resolution limit [Å] | 2.290 | 6.210 | 2.290 |
| Rmerge | 0.152 | 0.073 | 0.827 |
| Rmeas | 0.176 | ||
| Rpim | 0.095 | ||
| Total number of observations | 191921 | ||
| Number of reflections | 59195 | ||
| <I/σ(I)> | 11.5 | ||
| Completeness [%] | 93.1 | 99.6 | 85.7 |
| Redundancy | 3.2 | 3.7 | 2.6 |
| CC(1/2) | 0.992 | 0.558 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 296 | 0.1M Sodium HEPES, 17.5% PEG 4000 |
