5BOE
Crystal structure of Staphylococcus aureus enolase in complex with PEP
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-09-21 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9792 |
| Spacegroup name | I 4 |
| Unit cell lengths | 145.154, 145.154, 100.512 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.600 |
| R-factor | 0.14923 |
| Rwork | 0.148 |
| R-free | 0.16356 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5bof |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.376 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Rmerge | 0.086 | 0.467 |
| Number of reflections | 136548 | |
| <I/σ(I)> | 40.3 | 6.8 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 8.2 | 8.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 289 | 0.2M Ammonium acetate, 0.1M Tris pH 8.5, 25%(w/v) Polyethylene glycol 3,350 |
