2YAJ
CRYSTAL STRUCTURE OF GLYCYL RADICAL ENZYME with bound substrate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | ENRAF-NONIUS FR591 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Detector | MARRESEARCH |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 133.049, 228.588, 148.226 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.157 - 1.813 |
R-factor | 0.1909 |
Rwork | 0.188 |
R-free | 0.24420 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1r9d |
RMSD bond length | 0.017 |
RMSD bond angle | 1.612 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | AMoRE |
Refinement software | PHENIX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.160 | 1.880 |
High resolution limit [Å] | 1.810 | 1.810 |
Rmerge | 0.090 | 0.330 |
Number of reflections | 202600 | |
<I/σ(I)> | 13 | 5 |
Completeness [%] | 99.0 | 99 |
Redundancy | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 22 % PEG MME 550, 30 MM MGCL2, 100 MM TRIS/HCL PH 7.5 - 8.4 . |