6KZF
Racemic X-ray Structure of Calcicludine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-06-01 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 1.54 |
| Spacegroup name | I 41 |
| Unit cell lengths | 94.600, 94.600, 38.562 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.710 - 2.520 |
| Rwork | 0.239 |
| R-free | 0.28210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5yv7 |
| Data scaling software | HKL-3000 |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.560 |
| High resolution limit [Å] | 2.520 | 2.520 |
| Rmerge | 0.159 | 0.996 |
| Number of reflections | 5969 | 312 |
| <I/σ(I)> | 14.6 | |
| Completeness [%] | 99.9 | |
| Redundancy | 11.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.2M Ammonium acetate, 0.1M Sodium citrate tribasic dihydrate pH 5.6, 30% w/v Polyethylene glycol 4000 |
