3HN2
Crystal structure of 2-dehydropantoate 2-reductase FROM Geobacter metallireducens GS-15
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 90 |
| Detector technology | CCD |
| Collection date | 2008-10-01 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 77.318, 82.179, 201.291 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.500 |
| R-factor | 0.24428 |
| Rwork | 0.243 |
| R-free | 0.29180 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.233 |
| Data reduction software | DENZO |
| Data scaling software | HKL-2000 |
| Phasing software | SHELXDE |
| Refinement software | REFMAC (5.3.0034) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.940 | |
| Number of reflections | 45333 | |
| <I/σ(I)> | 4.4 | 0.8 |
| Completeness [%] | 99.4 | 98.8 |
| Redundancy | 3.7 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 100MM MES, PH 6.0, 20% PEG8000, 200MM CALCIUM ACETATE, 10% GLYCEROL, TEMPERATURE 294K, VAPOR DIFFUSION, SITTING DROP |
