4UTG
Burkholderia pseudomallei heptokinase WcbL,AMPPNP (ATP analogue) complex.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-05-06 |
Detector | DECTRIS PILATUS |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 101.440, 115.020, 166.780 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 76.080 - 1.930 |
R-factor | 0.19637 |
Rwork | 0.194 |
R-free | 0.24160 |
Structure solution method | SAD |
Starting model (for MR) | NONE |
RMSD bond length | 0.009 |
RMSD bond angle | 1.323 |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | SHELX |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 76.080 | 1.980 |
High resolution limit [Å] | 1.930 | 1.930 |
Rmerge | 0.080 | 0.790 |
Number of reflections | 72694 | |
<I/σ(I)> | 12.8 | 2.1 |
Completeness [%] | 99.6 | 96.7 |
Redundancy | 6.5 | 6.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | 0.5 M NACL, 10 MM HEPES PH 7, 25 MM AMPPNP |