5WAY
MgaSpn protein, Mga regulator from Streptococcus pneumoniae
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-12-18 |
| Detector | DECTRIS PILATUS3 X 6M |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 80.118, 106.256, 100.213 |
| Unit cell angles | 90.00, 101.76, 90.00 |
Refinement procedure
| Resolution | 49.510 - 2.090 |
| R-factor | 0.1952 |
| Rwork | 0.193 |
| R-free | 0.23240 |
| Structure solution method | SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.262 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.8.0069) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 49.510 | 50.000 | 2.140 |
| High resolution limit [Å] | 2.090 | 5.700 | 2.100 |
| Rmerge | 0.046 | 0.026 | 0.536 |
| Rmeas | 0.054 | 0.030 | 0.628 |
| Rpim | 0.027 | 0.015 | 0.322 |
| Number of reflections | 95199 | 4548 | |
| <I/σ(I)> | 8.8 | 1.89 | |
| Completeness [%] | 98.8 | 99 | 95.2 |
| Redundancy | 3.7 | 3.8 | 3.4 |
| CC(1/2) | 0.999 | 0.776 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 277 | 0.05 M Hepes buffer, 8% PVP, 0.16 M ammonium sulfate, 0.01 M magnesium chloride, 0.1 M potassium chloride |
