4EM6
The structure of Glucose-6-phosphate isomerase (GPI) from Brucella melitensis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-02-03 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 1 |
| Unit cell lengths | 71.590, 72.730, 115.250 |
| Unit cell angles | 95.42, 91.54, 110.06 |
Refinement procedure
| Resolution | 95.066 - 1.900 |
| R-factor | 0.1327 |
| Rwork | 0.131 |
| R-free | 0.16890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2wu8 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.313 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 95.066 | 1.950 | |
| High resolution limit [Å] | 1.900 | 8.500 | 1.900 |
| Rmerge | 0.026 | 0.017 | 0.059 |
| Number of reflections | 162585 | 1779 | 10203 |
| <I/σ(I)> | 27.06 | 44.44 | 13.44 |
| Completeness [%] | 95.1 | 92.8 | 80.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 39.92 mg/ml BrmeA.17127.a PW34214, 0.2M calcium chloride dihydrate, 20% PEG3350. Cryoprotection 20% ethylene glycol, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
