4S3P
Amylomaltase MalQ from Escherichia coli, apo structure
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-12-12 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.91841 |
Spacegroup name | P 2 2 21 |
Unit cell lengths | 85.337, 106.811, 217.665 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 33.840 - 2.800 |
R-factor | 0.1819 |
Rwork | 0.180 |
R-free | 0.22410 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4s3r |
RMSD bond length | 0.007 |
RMSD bond angle | 1.087 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 35.000 | 35.000 | 2.900 |
High resolution limit [Å] | 2.800 | 10.000 | 2.800 |
Rmerge | 0.131 | 0.025 | 0.672 |
Number of reflections | 49608 | 1156 | 4885 |
<I/σ(I)> | 13.52 | 41.51 | 2.82 |
Completeness [%] | 99.5 | 93.1 | 99.9 |
Redundancy | 5.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 295 | 1.2 M Na3Citrate, 250 mM NaCl, 20 mM Tris-HCl, protein concentration 13 mg/ml, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 295K |