3OI7
Structure of the structure of the H13A mutant of Ykr043C in complex with sedoheptulose-1,7-bisphosphate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-04-22 |
Detector | RIGAKU SATURN A200 |
Wavelength(s) | 1.54178 |
Spacegroup name | P 1 |
Unit cell lengths | 58.559, 74.945, 83.615 |
Unit cell angles | 90.04, 89.92, 77.22 |
Refinement procedure
Resolution | 27.500 - 2.400 |
R-factor | 0.23007 |
Rwork | 0.228 |
R-free | 0.25996 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB 3F3K molecule A protein atoms |
RMSD bond length | 0.012 |
RMSD bond angle | 1.355 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.240 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.080 | 0.112 |
Number of reflections | 57671 | |
<I/σ(I)> | 9.88 | 3.02 |
Completeness [%] | 82.6 | 36.9 |
Redundancy | 1.6 | 1.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 294 | 0.1M Hepes 7.5, 10%Iso-propnal, 22%PEG4K, 4%Glycerol, 0.03 mg/ml trypsin, soaking 10min in well solution w/10mM sedoheptulose. Cryoprotected in Paratone-N oil, VAPOR DIFFUSION, HANGING DROP, temperature 294K |