3IFS
2.0 Angstrom Resolution Crystal Structure of Glucose-6-phosphate Isomerase (pgi) from Bacillus anthracis.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-07-16 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97856 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 111.802, 303.640, 72.087 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.870 - 2.004 |
R-factor | 0.14251 |
Rwork | 0.140 |
R-free | 0.19022 |
Structure solution method | SAD |
RMSD bond length | 0.011 |
RMSD bond angle | 1.406 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CRANK |
Refinement software | REFMAC (5.5.0051) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.030 |
High resolution limit [Å] | 2.004 | 2.004 |
Rmerge | 0.101 | 0.411 |
Number of reflections | 163392 | |
<I/σ(I)> | 13.9 | 3.7 |
Completeness [%] | 99.2 | 100 |
Redundancy | 5.1 | 4.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 295 | Protein solution: 0.3M NaCl, 10mM HEPES (pH 7.5); Screen solution: 20% PEG 3350,0.1M Na Formate, 0.1M Li Sulfate, 0.1M Bis-Tris (pH 6.5)., VAPOR DIFFUSION, HANGING DROP, temperature 295K |