5HQB
A Glycoside Hydrolase Family 97 enzyme (E480Q) in complex with Panose from Pseudoalteromonas sp. strain K8
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-06-25 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.987 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 119.167, 119.167, 181.832 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 39.291 - 1.800 |
| R-factor | 0.1374 |
| Rwork | 0.137 |
| R-free | 0.15530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5hq4 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.853 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.10_2155) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 40.000 | 40.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 3.880 | 1.800 |
| Rmerge | 0.109 | 0.065 | 0.594 |
| Rmeas | 0.119 | 0.072 | 0.650 |
| Rpim | 0.047 | 0.029 | 0.261 |
| Total number of observations | 838357 | ||
| Number of reflections | 137668 | ||
| <I/σ(I)> | 4.3 | ||
| Completeness [%] | 99.5 | 99.2 | 99 |
| Redundancy | 6.1 | 5.9 | 5.9 |
| CC(1/2) | 0.995 | 0.819 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 283 | 0.1M Bis-Tris-HCl (pH 6.5), 0.1M magnesium formate dihydrate |
