6MPY
B. pseudomallei KatG crystallized in the presence of benzoyl hydrazide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-07-27 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 100.910, 115.790, 175.010 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.910 - 2.000 |
| R-factor | 0.1522 |
| Rwork | 0.150 |
| R-free | 0.18380 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDBID 1MWV |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.462 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.15) |
| Phasing software | REFMAC |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 34.910 | 35.002 | 2.110 |
| High resolution limit [Å] | 1.994 | 6.320 | 2.000 |
| Rmerge | 0.045 | 0.612 | |
| Rmeas | 0.135 | 0.050 | 0.691 |
| Rpim | 0.062 | 0.021 | 0.315 |
| Number of reflections | 131010 | 4688 | 18516 |
| <I/σ(I)> | 8 | 12.3 | 1.2 |
| Completeness [%] | 94.7 | 99.4 | 92.8 |
| Redundancy | 4.4 | 5.4 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.1 | 293 | MPD, 0.1 M sodium citrate, 50 mM benzoyl hydrazide |
