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 |