6W6Z
BlsA ground state
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 17-ID-1 |
| Synchrotron site | NSLS-II |
| Beamline | 17-ID-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-06-16 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.9792 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 92.873, 37.438, 49.269 |
| Unit cell angles | 90.00, 106.57, 90.00 |
Refinement procedure
| Resolution | 47.220 - 1.710 |
| R-factor | 0.1868 |
| Rwork | 0.185 |
| R-free | 0.22200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3mzi |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.684 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.5.23) |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 47.220 | 47.220 | 1.740 |
| High resolution limit [Å] | 1.710 | 9.060 | 1.710 |
| Rmerge | 0.085 | 0.037 | 0.873 |
| Rmeas | 0.094 | 0.041 | 1.116 |
| Rpim | 0.040 | 0.018 | 0.686 |
| Total number of observations | 88742 | 683 | 1176 |
| Number of reflections | 17106 | 135 | 557 |
| <I/σ(I)> | 10.5 | 31.6 | 0.9 |
| Completeness [%] | 96.8 | 97 | 61.7 |
| Redundancy | 5.2 | 5.1 | 2.1 |
| CC(1/2) | 0.997 | 0.998 | 0.509 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.2 M Sodium Chloride 20% PEG 3350 |
