5A3M
Structure of Cea1A in complex with Chitobiose
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.3 |
| Synchrotron site | BESSY |
| Beamline | 14.3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-11-18 |
| Detector | MARRESEARCH MARMOSAIC 255 MM |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 101.700, 105.350, 106.470 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.990 - 1.750 |
| R-factor | 0.18298 |
| Rwork | 0.183 |
| R-free | 0.21142 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | COMPLEX OF PICA1 WITH N-ACETYLGLUCOSAMINE |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.625 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.980 | 1.840 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.100 | 0.520 |
| Number of reflections | 106663 | |
| <I/σ(I)> | 12.4 | 2.8 |
| Completeness [%] | 92.7 | 95.3 |
| Redundancy | 4 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 277 | 100 MM MAGNESIUM CHLORIDE, 100 MM SODIUMCHLORIDE, 100 MM SODIUMCITRATE PH 3.5, 12% PEG 4000, 5 MM CHITOBIOSE, 5 MM CALCIUM CHLORIDE, 277 K |
