5TTG
Crystal structure of catalytic domain of GLP with MS012
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-08-21 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97915 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 74.429, 95.900, 102.113 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.010 - 1.660 |
| R-factor | 0.1711 |
| Rwork | 0.171 |
| R-free | 0.19170 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3k5k |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.448 |
| Data reduction software | HKL-3000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.690 |
| High resolution limit [Å] | 1.660 | 4.500 | 1.660 |
| Rmerge | 0.118 | 0.074 | 0.883 |
| Rmeas | 0.128 | ||
| Rpim | 0.049 | ||
| Total number of observations | 591766 | ||
| Number of reflections | 86624 | ||
| <I/σ(I)> | 7.4 | ||
| Completeness [%] | 100.0 | 99.3 | 100 |
| Redundancy | 6.8 | 6.6 | 6.5 |
| CC(1/2) | 0.993 | 0.789 |
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 |
