6JQQ
KatE H392C from Escherichia coli
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 11C |
Synchrotron site | PAL/PLS |
Beamline | 11C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-11-20 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.98 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 90.345, 129.099, 117.372 |
Unit cell angles | 90.00, 109.86, 90.00 |
Refinement procedure
Resolution | 45.160 - 2.400 |
R-factor | 0.24601 |
Rwork | 0.244 |
R-free | 0.27907 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1iph |
RMSD bond length | 0.009 |
RMSD bond angle | 1.538 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.160 | 2.440 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.219 | 0.397 |
Number of reflections | 91443 | 4258 |
<I/σ(I)> | 2 | |
Completeness [%] | 91.9 | |
Redundancy | 5.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 300 | 0.2M Sodium chloride 0.1 M BIS-TRIS pH 6.5 25% w/v Polyethylene glycol 3,350 |