8DCW
Lysozyme cluster 0062 (NAG and benzamidine ligands)
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 | 2016-12-14 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.92 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 78.780, 78.780, 37.570 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.420 - 2.000 |
R-factor | 0.19003 |
Rwork | 0.187 |
R-free | 0.23738 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4n8z |
RMSD bond length | 0.008 |
RMSD bond angle | 1.605 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.120 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.408 | 1.470 |
Number of reflections | 14987 | 2411 |
<I/σ(I)> | 3.73 | |
Completeness [%] | 97.9 | |
Redundancy | 5.08 | |
CC(1/2) | 0.859 | 0.254 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 290 | 4% SODIUM CHLORIDE, 100MM SODIUM ACETATE PH 4.6, 120MG/ML |