3V4T
E. cloacae C115D MURA liganded with UNAG
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2011-02-15 |
| Detector | RIGAKU SATURN 944+ |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 83.050, 153.140, 131.680 |
| Unit cell angles | 90.00, 102.36, 90.00 |
Refinement procedure
| Resolution | 19.770 - 2.500 |
| R-factor | 0.208 |
| Rwork | 0.208 |
| R-free | 0.27100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3su9 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.800 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.600 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.102 | 0.425 |
| Number of reflections | 110457 | |
| <I/σ(I)> | 19.7 | 4.5 |
| Completeness [%] | 99.5 | 99.7 |
| Redundancy | 3.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 291 | 20 MG/ML MURA C115D, 2.5 MM UNAG, 25 MM HEPES PH 7.5, 50 MM BIS-TRIS PH 5.5, 100 MM AMMONIUM ACETATE, 12.5 % PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
