5G2U
Structure of BT1596,a 2-O GAG sulfatase
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 | 2014-05-22 |
| Detector | PILATUS |
| Spacegroup name | P 41 |
| Unit cell lengths | 68.872, 68.872, 110.004 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 68.870 - 1.430 |
| R-factor | 0.1316 |
| Rwork | 0.130 |
| R-free | 0.16048 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3b5q |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.563 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.530 | 1.450 |
| High resolution limit [Å] | 1.430 | 1.430 |
| Rmerge | 0.060 | 0.720 |
| Number of reflections | 94403 | |
| <I/σ(I)> | 15.1 | 1.6 |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 7.3 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 25 % PEG 4000 15 % GLYCEROL 0.1 M CITRIC ACID PH 5.0 |
