6KMC
Crystal structure of a Streptococcal protein G B1 mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-11-27 |
| Detector | DECTRIS PILATUS3 S 2M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 85.827, 29.439, 36.017 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.910 - 1.840 |
| R-factor | 0.2007 |
| Rwork | 0.197 |
| R-free | 0.26690 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2zw1 |
| RMSD bond length | 0.030 |
| RMSD bond angle | 2.315 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.650 |
| High resolution limit [Å] | 1.620 | 4.400 | 1.620 |
| Rmerge | 0.045 | 0.040 | 0.130 |
| Rmeas | 0.050 | 0.044 | 0.144 |
| Rpim | 0.020 | 0.018 | 0.060 |
| Total number of observations | 75501 | ||
| Number of reflections | 12052 | 704 | 560 |
| <I/σ(I)> | 11.1 | ||
| Completeness [%] | 98.8 | 100 | 93.2 |
| Redundancy | 6.3 | 5.6 | 5.5 |
| CC(1/2) | 0.997 | 0.990 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 30% polyethylene glycol 8000, 100 mM imidazole hydrochloride (pH 8.0), 200 mM NaCl |
