8SWQ
Structure of K. lactis PNP bound to transition state analog DADMe-IMMUCILLIN H and sulfate
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 | 2013-10-02 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 89.963, 110.788, 98.043 |
| Unit cell angles | 90.00, 108.95, 90.00 |
Refinement procedure
| Resolution | 26.367 - 1.979 |
| R-factor | 0.1649 |
| Rwork | 0.163 |
| R-free | 0.19700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.255 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 2.010 |
| High resolution limit [Å] | 1.979 | 5.360 | 1.980 |
| Rmerge | 0.119 | 0.060 | 0.785 |
| Number of reflections | 126431 | 12062 | 12497 |
| <I/σ(I)> | 10 | ||
| Completeness [%] | 99.8 | 96.7 | 100 |
| Redundancy | 3.9 | 3.8 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 292 | 25% (w/v) PEG 3,350, 0.2 M Ammonium sulphate and 0.11 M BIS-TRIS |
