4UT4
Burkholderia pseudomallei heptokinase WcbL, D-mannose 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 | 2014-05-25 |
| Detector | DECTRIS PILATUS |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 101.100, 116.330, 168.090 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 69.480 - 1.940 |
| R-factor | 0.19552 |
| Rwork | 0.193 |
| R-free | 0.23722 |
| Structure solution method | SAD |
| Starting model (for MR) | NONE |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.218 |
| 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] | 69.480 | 1.990 |
| High resolution limit [Å] | 1.940 | 1.940 |
| Rmerge | 0.120 | 0.620 |
| Number of reflections | 73109 | |
| <I/σ(I)> | 7.5 | 2.2 |
| Completeness [%] | 99.6 | 99.1 |
| Redundancy | 6.5 | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 0.5 M NACL, 10 MM HEPES PH 7 |
