4BQ5
Structural analysis of an exo-beta-agarase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | MARRESEARCH MX-300 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 69.030, 116.170, 207.970 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.190 - 2.300 |
R-factor | 0.1923 |
Rwork | 0.189 |
R-free | 0.25149 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4bq2 |
RMSD bond length | 0.012 |
RMSD bond angle | 1.544 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.190 | 2.420 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.160 | 0.340 |
Number of reflections | 81677 | |
<I/σ(I)> | 5.8 | 3.7 |
Completeness [%] | 94.6 | 96.3 |
Redundancy | 4.9 | 4.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 21% (W/V) PEG 3350, 0.22 M LITHIUM SULFATE, 0.1 M TRIS-HCL, PH 8.5 |