5V9J
Crystal structure of catalytic domain of GLP with MS0105
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-09-16 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97949 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 74.848, 95.891, 102.416 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.740 |
R-factor | 0.1739 |
Rwork | 0.173 |
R-free | 0.19720 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 5ttg |
RMSD bond length | 0.009 |
RMSD bond angle | 1.488 |
Data reduction software | HKL-3000 |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.770 |
High resolution limit [Å] | 1.740 | 4.720 | 1.740 |
Rmerge | 0.123 | 0.052 | 0.829 |
Number of reflections | 76349 | ||
<I/σ(I)> | 7.4 | ||
Completeness [%] | 100.0 | 99.7 | 99.4 |
Redundancy | 8.1 | 7.7 | 6.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 293 | 20% PEG 4000, 20% IProp, 0.1 M NaCitrate pH5.6 |