5CPT
Disproportionating enzyme 1 from Arabidopsis - beta cyclodextrin soak
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-10-17 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.9173 |
| Spacegroup name | P 1 |
| Unit cell lengths | 69.750, 73.110, 79.330 |
| Unit cell angles | 65.44, 69.48, 66.85 |
Refinement procedure
| Resolution | 63.630 - 2.300 |
| R-factor | 0.165 |
| Rwork | 0.163 |
| R-free | 0.19600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1x1n |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.308 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.16) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 70.323 | 70.323 | 2.360 |
| High resolution limit [Å] | 2.300 | 10.290 | 2.300 |
| Rmerge | 0.027 | 0.691 | |
| Rmeas | 0.100 | ||
| Rpim | 0.044 | 0.015 | 0.372 |
| Total number of observations | 276058 | 3327 | 20600 |
| Number of reflections | 52530 | ||
| <I/σ(I)> | 11.8 | 32.4 | 2.5 |
| Completeness [%] | 92.5 | 98.4 | 92.5 |
| Redundancy | 5.3 | 5.3 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 1 microliter of 9% PEG2000 MME in 0.1 M HEPES-NaOH, pH 8.0 was added to 1 microliter of protein at a concentration of 10 mg/ml in 20 mM HEPES-NaOH, pH 7.5, 150 mM NaCl |
