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 |
