4QRH
Molecular mechanism and evolution of guanylate kinase regulation by (p)ppGpp
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-06-17 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 69.486, 93.961, 85.259 |
| Unit cell angles | 90.00, 111.09, 90.00 |
Refinement procedure
| Resolution | 39.260 - 1.650 |
| R-factor | 0.20244 |
| Rwork | 0.201 |
| R-free | 0.22694 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2j41 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.176 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0071) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 79.550 | 1.680 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Number of reflections | 123199 | |
| <I/σ(I)> | 32.38 | 2.18 |
| Completeness [%] | 100.0 | 99.8 |
| Redundancy | 5 | 4.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 0.1 M Tris pH 8.0, 20-30% PEG3350 and 0.18-0.24 M Li2SO4 in hanging drops at 20 deg C, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
