4UAR
Crystal structure of apo-CbbY from Rhodobacter sphaeroides
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-02-25 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97138 |
| Spacegroup name | I 4 |
| Unit cell lengths | 117.685, 117.685, 43.994 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.900 |
| R-factor | 0.2001 |
| Rwork | 0.199 |
| R-free | 0.22380 |
| Structure solution method | SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.232 |
| Data reduction software | XDS |
| Data scaling software | SCALA (3.3.20) |
| Phasing software | SHARP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 41.608 | 41.608 | 2.000 |
| High resolution limit [Å] | 1.900 | 6.000 | 1.900 |
| Rmerge | 0.028 | 0.376 | |
| Rmeas | 0.059 | ||
| Rpim | 0.023 | 0.013 | 0.202 |
| Total number of observations | 156631 | 5237 | 18137 |
| Number of reflections | 24048 | ||
| <I/σ(I)> | 19.5 | 50.6 | 3.4 |
| Completeness [%] | 99.8 | 99.8 | 99 |
| Redundancy | 6.5 | 6.4 | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | 16-20 % PEG-6000 and 0.1 M Hepes-NaOH pH 7.0 |
