6P78
queuine lyase from Clostridium spiroforme bound to SAM and queuine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 31-ID |
Synchrotron site | APS |
Beamline | 31-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-08-18 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 1.3776 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 57.606, 57.606, 152.414 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.803 - 1.726 |
R-factor | 0.1676 |
Rwork | 0.165 |
R-free | 0.19960 |
Structure solution method | SAD |
Data reduction software | XDS |
Data scaling software | Aimless (0.7.1) |
Phasing software | AutoSol (1.14-3260) |
Refinement software | PHENIX ((1.14_3260: ???)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 53.890 | 53.890 | 1.780 |
High resolution limit [Å] | 1.690 | 5.350 | 1.690 |
Rmerge | 0.115 | 0.066 | 1.638 |
Rmeas | 0.117 | 0.068 | 1.669 |
Rpim | 0.023 | 0.014 | 0.316 |
Total number of observations | 814983 | 24572 | 116971 |
Number of reflections | 29732 | 1093 | 4236 |
<I/σ(I)> | 19.4 | 48.2 | 2.7 |
Completeness [%] | 100.0 | 99.2 | 100 |
Redundancy | 27.4 | 22.5 | 27.6 |
CC(1/2) | 0.999 | 0.998 | 0.905 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 9.5 | 295 | 0.1 M CHES, pH 9.5, 30% polyethylene glycol 3,000 |