5A3L
Structure of Cea1A in complex with N-Acetylglucosamine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-05-25 |
| Detector | MARRESEARCH MX-255 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 102.340, 106.210, 107.600 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.840 - 1.660 |
| R-factor | 0.17119 |
| Rwork | 0.171 |
| R-free | 0.20206 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PRUNED VERSION OF EPA1A-BASED PDB 4ASL MODELLER 9V7 MODEL OF PICA1 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.570 |
| 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] | 19.840 | 1.750 |
| High resolution limit [Å] | 1.660 | 1.660 |
| Rmerge | 0.100 | 0.590 |
| Number of reflections | 137801 | |
| <I/σ(I)> | 14 | 3.3 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 5.8 | 5.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 277 | 100 MM MAGNESIUMCHLORIDE, 100 MM SODIUM CHLORIDE, 100 MM SODIUMCITRATE PH 3.5, 12% PEG 4000, 5 MM N-ACETYLGLUCOSAMINE, 5 MM CALCIUMCHLORIDE, 277 K |
