7CQB
Crystal structure of mutant of a Petase mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL15A1 |
| Synchrotron site | NSRRC |
| Beamline | BL15A1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2019-07-17 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 51.065, 51.264, 84.806 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.770 - 1.860 |
| R-factor | 0.1447 |
| Rwork | 0.142 |
| R-free | 0.19160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5xg0 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.493 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 25.000 | 25.000 | 1.930 |
| High resolution limit [Å] | 1.860 | 4.000 | 1.860 |
| Rmerge | 0.086 | 0.054 | 0.383 |
| Rmeas | 0.094 | 0.059 | 0.417 |
| Rpim | 0.038 | 0.024 | 0.164 |
| Total number of observations | 121346 | ||
| Number of reflections | 19219 | 2078 | 1892 |
| <I/σ(I)> | 8 | ||
| Completeness [%] | 99.3 | 99.5 | 99.9 |
| Redundancy | 6.3 | 6 | 6.4 |
| CC(1/2) | 0.996 | 0.933 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | POLYETHYLENE GLYCOL 6000, GLYCEROL, MES, PH 6.0, |
