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 |