6MQ0
B. pseudomallei KatG crystallized in the presence of furoyl 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 | 100.460, 115.430, 174.600 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.209 - 1.900 |
| R-factor | 0.1461 |
| Rwork | 0.145 |
| R-free | 0.17390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDBID 1MWV |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.530 |
| 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] | 35.209 | 35.209 | 2.000 |
| High resolution limit [Å] | 1.900 | 6.010 | 1.900 |
| Rmerge | 0.040 | 0.480 | |
| Rmeas | 0.109 | 0.045 | 0.537 |
| Rpim | 0.047 | 0.020 | 0.239 |
| Total number of observations | 838108 | ||
| Number of reflections | 159840 | 5407 | 23107 |
| <I/σ(I)> | 11 | 14.3 | 1.5 |
| Completeness [%] | 99.9 | 99.5 | 99.9 |
| Redundancy | 5.2 | 5.1 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.1 | 293 | MPD, 0.1 M sodium citrate, 50 mM furoyl hydrazide |
