5JOH
CRYSTAL STRUCTURE OF CSN5(2-257) IN COMPLEX WITH CNS5i-1b
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 | 2012-09-24 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1 |
| Spacegroup name | I 4 |
| Unit cell lengths | 102.058, 102.058, 68.729 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 57.010 - 1.990 |
| R-factor | 0.2274 |
| Rwork | 0.226 |
| R-free | 0.24820 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4f7o |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.830 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 72.160 | 1.994 |
| High resolution limit [Å] | 1.988 | 1.988 |
| Rmerge | 0.041 | 0.832 |
| Number of reflections | 24374 | |
| <I/σ(I)> | 20.59 | 1.69 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 6.85 | 7.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 277 | Protein solution: 15 mg/ml CSN5 in 50mM NaCl, 50mM Mes/NaOH pH 6.0, 10uM ZnCl2, 0.5 mM TCEP with 1mM ligand Crystallization solution: 35% MPD, 0.2M LiSO4, 0.1 M MES/NaOH pH 6.0 |
