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 |