5E7X
Ligand binding domain 1 of Penicillium marneffei MP1 protein in complex with palmitic acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-05-25 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 43 |
| Unit cell lengths | 52.580, 52.580, 57.690 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.860 - 1.800 |
| R-factor | 0.1813 |
| Rwork | 0.179 |
| R-free | 0.22140 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.153 |
| Data reduction software | XDS |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.5.5) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 38.860 | 38.860 | 1.850 |
| High resolution limit [Å] | 1.800 | 8.050 | 1.800 |
| Rmerge | 0.026 | 0.011 | 0.518 |
| Rpim | 0.019 | 0.007 | 0.340 |
| Total number of observations | 53561 | 624 | 4162 |
| Number of reflections | 14575 | ||
| <I/σ(I)> | 22.8 | 73.4 | 2.2 |
| Completeness [%] | 99.4 | 97.3 | 99.9 |
| Redundancy | 3.7 | 3.6 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 298 | PEG 12000, sodium acetate, ammonium sulphate |
