8XSK
crystal structure of PPAT
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13B1 |
| Synchrotron site | NSRRC |
| Beamline | BL13B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-01-16 |
| Detector | MAR CCD 300 mm |
| Wavelength(s) | 1 |
| Spacegroup name | H 3 |
| Unit cell lengths | 78.736, 78.736, 147.166 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 27.020 - 1.980 |
| R-factor | 0.18206 |
| Rwork | 0.179 |
| R-free | 0.23082 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3otw |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.832 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.030 |
| High resolution limit [Å] | 1.960 | 1.960 |
| Number of reflections | 24687 | 2504 |
| <I/σ(I)> | 36.9 | |
| Completeness [%] | 99.9 | |
| Redundancy | 5.6 | |
| CC(1/2) | 0.750 | 0.750 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 300 | sodium choloride, sodium acetate, Lithium sulfate |
