5FLG
Crystal structure of the 6-carboxyhexanoate-CoA ligase (BioW)from Bacillus subtilis in complex with AMPPNP
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-12-11 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 49.590, 77.900, 166.000 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.530 - 2.040 |
R-factor | 0.20329 |
Rwork | 0.202 |
R-free | 0.23205 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.309 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 55.330 | 2.090 |
High resolution limit [Å] | 2.040 | 2.040 |
Rmerge | 0.060 | 0.550 |
Number of reflections | 41543 | |
<I/σ(I)> | 17.3 | 2.7 |
Completeness [%] | 99.2 | 92.2 |
Redundancy | 6.4 | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | 0.1 MM HEPES PH 7.5 19 % PEG 400 |