5XJ1
Crystal structure of spRlmCD
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-12-12 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.9776 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.452, 101.772, 63.037 |
| Unit cell angles | 90.00, 110.11, 90.00 |
Refinement procedure
| Resolution | 38.587 - 1.753 |
| R-factor | 0.1762 |
| Rwork | 0.175 |
| R-free | 0.20210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1uwv |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.889 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.10_2155) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 40.000 | 40.000 | 1.830 |
| High resolution limit [Å] | 1.800 | 4.880 | 1.800 |
| Rmerge | 0.108 | 0.072 | 0.567 |
| Rmeas | 0.119 | 0.079 | 0.631 |
| Rpim | 0.050 | 0.033 | 0.274 |
| Total number of observations | 272825 | ||
| Number of reflections | 51160 | ||
| <I/σ(I)> | 4.6 | ||
| Completeness [%] | 99.8 | 99.8 | 99.6 |
| Redundancy | 5.3 | 5.3 | 5.1 |
| CC(1/2) | 0.993 | 0.795 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.1 M HEPES.Na, 45% PEG600 |
