2JE7
Crystal structure of recombinant Dioclea guianensis lectin S131H complexed with 5-bromo-4-chloro-3-indolyl-a-D-mannose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM14 |
Synchrotron site | ESRF |
Beamline | BM14 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-11-24 |
Detector | MARRESEARCH |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 65.661, 88.014, 91.536 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 63.500 - 1.650 |
R-factor | 0.156 |
Rwork | 0.154 |
R-free | 0.20100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1h9w |
RMSD bond length | 0.012 |
RMSD bond angle | 1.474 |
Data reduction software | MOSFLM |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.000 | 1.740 |
High resolution limit [Å] | 1.650 | 1.650 |
Rmerge | 0.050 | 0.360 |
Number of reflections | 31757 | |
<I/σ(I)> | 8.4 | 3 |
Completeness [%] | 98.8 | 99.3 |
Redundancy | 3.1 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | CRYSTALS WERE GROWN WITH 0.6M NACL, 0.1 HEPES, PH 7.0. |