3V1D
Crystal structure of de novo designed MID1-cobalt
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-04-26 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.9494 |
| Spacegroup name | P 1 |
| Unit cell lengths | 27.720, 45.451, 62.112 |
| Unit cell angles | 90.04, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.668 - 1.239 |
| R-factor | 0.1474 |
| Rwork | 0.147 |
| R-free | 0.19410 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1yzm |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.323 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.7.3_927)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.668 | 1.250 |
| High resolution limit [Å] | 1.239 | 1.240 |
| Rmerge | 0.068 | 0.429 |
| Number of reflections | 81186 | |
| <I/σ(I)> | 18.1 | 2 |
| Completeness [%] | 94.3 | 82.6 |
| Redundancy | 2.5 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 1-2 microliters protein (20 mg/ml, 100 mM ammonium acetate buffer) mixed with 1 microliter crystallization buffer (0.1 M MES pH 6.0, 30% PEG 200, 10% PEG 3000), VAPOR DIFFUSION, HANGING DROP, temperature 293K |
