6NX6
ECAII(D90T,K162T) MUTANT IN COMPLEX WITH CITRATE AT PH 5
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 298 |
Detector technology | PIXEL |
Collection date | 2018-06-10 |
Detector | DECTRIS EIGER R 4M |
Wavelength(s) | 1.5418 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 126.166, 126.166, 89.197 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 40.000 - 2.150 |
R-factor | 0.1294 |
Rwork | 0.127 |
R-free | 0.16930 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.020 |
RMSD bond angle | 2.002 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | REFMAC (5.8.0158) |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 40.000 | 40.000 | 2.190 |
High resolution limit [Å] | 2.150 | 5.830 | 2.150 |
Rmerge | 0.108 | 0.024 | 0.686 |
Rmeas | 0.125 | 0.027 | 0.823 |
Rpim | 0.059 | 0.012 | 0.442 |
Total number of observations | 180060 | ||
Number of reflections | 43555 | 2054 | 2230 |
<I/σ(I)> | 8.8 | ||
Completeness [%] | 97.1 | 85.5 | 99.8 |
Redundancy | 4.1 | 4.7 | 3.4 |
CC(1/2) | 0.999 | 0.518 |
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 5.0, and 20 mM L-Asn. Resulting droplets were equilibrated against the precipitant. For the data collection, crystal was mounted in a quartz capillary |