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 |
