5G2V
Structure of BT4656 in complex with its substrate D-Glucosamine-2-N, 6-O-disulfate.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-09-26 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 71.218, 74.550, 95.005 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 58.650 - 1.390 |
R-factor | 0.10925 |
Rwork | 0.108 |
R-free | 0.13008 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | NONE |
RMSD bond length | 0.011 |
RMSD bond angle | 1.527 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | BALBES |
Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.500 | 1.410 |
High resolution limit [Å] | 1.390 | 1.390 |
Rmerge | 0.070 | 0.450 |
Number of reflections | 101665 | |
<I/σ(I)> | 22.8 | 5.8 |
Completeness [%] | 99.5 | 99.4 |
Redundancy | 7.4 | 6.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 20 % PEG 3350 0.2 M SODIUM NITRATE |