4HJH
Iodide SAD phased crystal structure of a phosphoglucomutase from Brucella melitensis complexed with glucose-6-phosphate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-08-28 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 61.950, 55.980, 131.670 |
| Unit cell angles | 90.00, 92.18, 90.00 |
Refinement procedure
| Resolution | 46.010 - 2.100 |
| R-factor | 0.1754 |
| Rwork | 0.174 |
| R-free | 0.20860 |
| Structure solution method | SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.407 |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 9.390 | 2.150 |
| High resolution limit [Å] | 2.100 | 6.640 | 2.100 |
| Rmerge | 0.075 | 0.044 | 0.210 |
| Number of reflections | 102884 | 2124 | 7444 |
| <I/σ(I)> | 13.94 | 24.71 | 6.36 |
| Completeness [%] | 99.7 | 99.9 | 96.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 289 | Wizard III/IV well F10: PCB Buffer pH 7.0, 25% PEG 1500, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
