8ENI
Crystal structure of Staphylococcus aureus biotin protein ligase in complex with inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-07-24 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9537 |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 94.240, 94.240, 131.190 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.670 - 2.400 |
R-factor | 0.2054 |
Rwork | 0.204 |
R-free | 0.23640 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6aqq |
RMSD bond length | 0.011 |
RMSD bond angle | 1.351 |
Data reduction software | XDS (20220110) |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.130 | 2.480 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.066 | |
Number of reflections | 22829 | 8264 |
<I/σ(I)> | 1.23 | |
Completeness [%] | 95.5 | |
Redundancy | 3.7 | |
CC(1/2) | 0.999 | 0.456 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | PEG 3350, MOPS, MgCl,PEG 8000 |