3SJN
Crystal structure of enolase Spea_3858 (target EFI-500646) from Shewanella pealeana with magnesium bound
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 | 2011-06-16 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | I 4 |
| Unit cell lengths | 109.207, 109.207, 141.034 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.900 |
| R-factor | 0.16076 |
| Rwork | 0.160 |
| R-free | 0.17602 |
| Structure solution method | MR |
| Starting model (for MR) | 3mqt |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.249 |
| 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 | 0.870 | |
| Number of reflections | 76116 | |
| <I/σ(I)> | 9.4 | 1.5 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 8.3 | 8.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 294 | 0.1M HEPES, 200MM MAGNESIUM CHLORIDE, 25% PEG3350, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 294K |
