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 |