3TTE
Crystal structure of enolase brado_4202 (target EFI-501651) from Bradyrhizobium complexed with magnesium and mandelic acid
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 | 2011-07-23 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 109.949, 118.867, 130.571 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.000 |
| R-factor | 0.20577 |
| Rwork | 0.204 |
| R-free | 0.26348 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3toy |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.246 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.950 | |
| Number of reflections | 57954 | |
| <I/σ(I)> | 7.9 | 1 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 7.4 | 7.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | 0.3M MAGNESIUM FORMATE, 100MM BIS-TRIS, PH 5.5, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 294K |
