4PMK
Crystal structure of kiwellin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-04-30 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9794 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.420, 59.700, 54.550 |
| Unit cell angles | 90.00, 97.45, 90.00 |
Refinement procedure
| Resolution | 40.080 - 2.050 |
| R-factor | 0.195 |
| Rwork | 0.193 |
| R-free | 0.22390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3d30 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.355 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA (3.3.16) |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.8.0071) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 40.080 | 40.084 | 2.160 |
| High resolution limit [Å] | 2.050 | 6.480 | 2.050 |
| Rmerge | 0.064 | 0.657 | |
| Rmeas | 0.151 | 0.070 | 0.709 |
| Rpim | 0.056 | 0.026 | 0.264 |
| Total number of observations | 141651 | 4829 | 20225 |
| Number of reflections | 20381 | ||
| <I/σ(I)> | 9.9 | 23.7 | 3 |
| Completeness [%] | 96.9 | 97.9 | 96.3 |
| Redundancy | 7 | 7 | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.1 M HEPES, 0.05 M KSCN, 27% PEG 2000 MME |
