4QN0
Crystal structure of the CPS-6 mutant Q130K
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL15A |
| Synchrotron site | NSRRC |
| Beamline | BL15A |
| Temperature [K] | 200 |
| Detector technology | CCD |
| Collection date | 2013-03-08 |
| Detector | RAYONIX MX300HE |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 67.550, 122.442, 73.522 |
| Unit cell angles | 90.00, 96.02, 90.00 |
Refinement procedure
| Resolution | 26.480 - 2.740 |
| R-factor | 0.1886 |
| Rwork | 0.185 |
| R-free | 0.23530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3s5b |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.927 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((phenix.refine: 1.8_1059)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 26.480 | 50.000 | 2.800 |
| High resolution limit [Å] | 2.740 | 7.460 | 2.750 |
| Rmerge | 0.095 | ||
| Number of reflections | 29545 | ||
| <I/σ(I)> | 11.49 | 26.31460674 | 3.275280899 |
| Completeness [%] | 99.7 | 97.5 | 100 |
| Redundancy | 3.7 | 3.4 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 278 | 0.1M sodium citrate tribasic dihydrate, 18% PEG3350 , pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 278K |
