3TOY
CRYSTAL STRUCTURE OF ENOLASE BRADO_4202 (TARGET EFI-501651) FROM Bradyrhizobium sp. ORS278 WITH CALCIUM AND ACETATE BOUND
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-06-23 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 118.389, 131.838, 108.825 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.800 |
| R-factor | 0.15964 |
| Rwork | 0.158 |
| R-free | 0.19922 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1mdr |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.315 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.910 | |
| Number of reflections | 157702 | |
| <I/σ(I)> | 8.9 | 2.5 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 12.3 | 8.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.5 | 0.1M SODIUM ACETATE, 200MM CALCIUM ACETA 30% PEG400, PH 4.5, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 294K |
