4E21
The crystal structure of 6-phosphogluconate dehydrogenase from Geobacter metallireducens
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X25 |
Synchrotron site | NSLS |
Beamline | X25 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-03-01 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.9788 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 101.297, 184.832, 93.496 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.715 - 2.301 |
R-factor | 0.1975 |
Rwork | 0.195 |
R-free | 0.23950 |
Structure solution method | SAD |
RMSD bond length | 0.010 |
RMSD bond angle | 1.187 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | SHELXS |
Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.092 | 0.477 |
Number of reflections | 38644 | |
<I/σ(I)> | 14.33 | 2.5 |
Completeness [%] | 98.4 | 96.3 |
Redundancy | 6.1 | 5.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 291 | 0.2 M ammonium acetate, 0.1 M Bis-tris pH 5.5, 45% v/v (+/-)-2-Methyl-2,4-pentanediol, VAPOR DIFFUSION, SITTING DROP, temperature 291K |