5T99
Crystal structure of BuGH2Awt in complex with Galactoisofagomine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL7-1 |
Synchrotron site | SSRL |
Beamline | BL7-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-05-10 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9753 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 117.540, 120.780, 145.080 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 92.820 - 2.400 |
R-factor | 0.1771 |
Rwork | 0.175 |
R-free | 0.21950 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.303 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 92.820 | 2.530 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.188 | 0.787 |
Number of reflections | 81323 | |
<I/σ(I)> | 10.6 | 2.6 |
Completeness [%] | 100.0 | 99.9 |
Redundancy | 8.4 | 8.1 |
CC(1/2) | 0.991 | 0.759 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 291 | 0.2M ammonium citrate dibasic, 20-22% PEG 3350 |