6NX8
ECAII(D90T,K162T) MUTANT IN COMPLEX WITH CITRATE AT PH 6.2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 298 |
Detector technology | PIXEL |
Collection date | 2018-05-11 |
Detector | DECTRIS EIGER R 4M |
Wavelength(s) | 1.5418 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 126.280, 126.280, 89.686 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 40.000 - 1.850 |
R-factor | 0.13 |
Rwork | 0.129 |
R-free | 0.15550 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.019 |
RMSD bond angle | 1.938 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 40.000 | 40.000 | 1.880 |
High resolution limit [Å] | 1.850 | 5.020 | 1.850 |
Rmerge | 0.071 | 0.019 | 0.750 |
Rmeas | 0.080 | 0.021 | 0.864 |
Rpim | 0.036 | 0.009 | 0.420 |
Total number of observations | 333956 | ||
Number of reflections | 70498 | 3675 | 3480 |
<I/σ(I)> | 12.2 | ||
Completeness [%] | 99.9 | 98.6 | 99.7 |
Redundancy | 4.7 | 5.1 | 3.9 |
CC(1/2) | 0.999 | 0.672 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | Protein, at the concentration 15 mg/ml in 50 mM HEPES buffer pH 7 and 150 mM sodium chloride was mixed with equivolume solution of precipitant that contained, 17% (w/v) PEG3350, 0.17 M ammonium citrate pH 6.2, and 20 mM L-Asn. Resulting droplets were equilibrated against the precipitant. For the data collection, crystal was mounted in a quartz capillary |