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 |