5UJD
SbnI from Staphylococcus pseudintermedius
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08B1-1 |
Synchrotron site | CLSI |
Beamline | 08B1-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-05-20 |
Detector | RAYONIX MX300HE |
Wavelength(s) | 0.9795 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 78.760, 111.390, 67.690 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.623 - 2.100 |
R-factor | 0.2197 |
Rwork | 0.218 |
R-free | 0.25990 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5uje |
RMSD bond length | 0.004 |
RMSD bond angle | 0.682 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHENIX |
Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 46.623 | 46.623 | 2.150 |
High resolution limit [Å] | 2.100 | 9.390 | 2.100 |
Rmerge | 0.082 | 0.030 | 0.996 |
Rmeas | 0.087 | 0.032 | 1.061 |
Total number of observations | 318845 | ||
Number of reflections | 35480 | 468 | 2538 |
<I/σ(I)> | 16.91 | 53.67 | 2.11 |
Completeness [%] | 99.8 | 98.1 | 98.8 |
Redundancy | 8.987 | 7.541 | 8.424 |
CC(1/2) | 0.999 | 0.999 | 0.804 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 4 M sodium formate |