3NA5
Crystal structure of a bacterial phosphoglucomutase, an enzyme important in the virulence of several human pathogens.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 4.2.2 |
| Synchrotron site | ALS |
| Beamline | 4.2.2 |
| Temperature [K] | 103 |
| Detector technology | CCD |
| Collection date | 2010-02-21 |
| Detector | NOIR-1 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 81.466, 105.792, 126.797 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.270 - 1.700 |
| R-factor | 0.18355 |
| Rwork | 0.182 |
| R-free | 0.21780 |
| Structure solution method | REFINEMENT |
| Starting model (for MR) | 2fuv |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.456 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK (9.9.7LDz) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.4.0069) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.270 | 1.700 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.056 | 0.487 |
| Number of reflections | 120749 | |
| <I/σ(I)> | 10.8 | 2.3 |
| Completeness [%] | 99.9 | 99.3 |
| Redundancy | 4.7 | 3.66 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 0.1 M Bis-Tris, 0.3 M magnesium chloride, 20% PEG 3350,0.1% n-octyl-beta D-gluco-pyranoside , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
