3FM9
Analysis of the Structural Determinants Underlying Discrimination between Substrate and Solvent in beta-Phosphoglucomutase Catalysis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-09-12 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 54.478, 57.656, 77.899 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.598 - 2.700 |
| R-factor | 0.216 |
| Rwork | 0.208 |
| R-free | 0.28000 |
| Structure solution method | MR, MR |
| Starting model (for MR) | 1zol |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.030 |
| 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 | 2.800 |
| High resolution limit [Å] | 2.700 | 5.810 | 2.700 |
| Rmerge | 0.151 | 0.091 | 0.561 |
| Number of reflections | 7122 | ||
| <I/σ(I)> | 7.1 | ||
| Completeness [%] | 99.3 | 97.9 | 99.2 |
| Redundancy | 5.5 | 5 | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 0.001M DTT, 0.01M MgCl2, 25% PEG 3350, 0.2M NaCl, 0.1M bisTris pH 6.0, vapor diffusion, hanging drop, temperature 298K |
