5TLE
Fructose-1,6-bisphosphate aldolase from rabbit muscle in complex with the inhibitor 2-phosphate-naphthalene 6-bisphosphonate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08B1-1 |
| Synchrotron site | CLSI |
| Beamline | 08B1-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-02-25 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 1.0332 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 83.742, 103.717, 84.524 |
| Unit cell angles | 90.00, 98.81, 90.00 |
Refinement procedure
| Resolution | 32.344 - 1.576 |
| R-factor | 0.1314 |
| Rwork | 0.131 |
| R-free | 0.15750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2qut |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.939 |
| 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 | 1.610 |
| High resolution limit [Å] | 1.580 | 4.290 | 1.580 |
| Rmerge | 0.038 | 0.015 | 0.783 |
| Rmeas | 0.046 | 0.017 | 0.984 |
| Rpim | 0.025 | 0.009 | 0.589 |
| Total number of observations | 542448 | ||
| Number of reflections | 184916 | ||
| <I/σ(I)> | 16 | ||
| Completeness [%] | 94.4 | 99.6 | 97.6 |
| Redundancy | 2.9 | 3.8 | 2.4 |
| CC(1/2) | 1.000 | 0.547 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 296 | 0.1M Sodium HEPES, 17.5% PEG 4000 |
