5HQC
A Glycoside Hydrolase Family 97 enzyme R171K variant from Pseudoalteromonas sp. strain K8
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-10-24 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.987 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 119.934, 119.934, 183.136 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 32.384 - 2.001 |
| R-factor | 0.1443 |
| Rwork | 0.143 |
| R-free | 0.16330 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5hq4 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.824 |
| 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 | 2.070 |
| High resolution limit [Å] | 2.000 | 4.310 | 2.000 |
| Rmerge | 0.099 | 0.045 | 0.572 |
| Rmeas | 0.106 | 0.049 | 0.615 |
| Rpim | 0.039 | 0.018 | 0.224 |
| Total number of observations | 780997 | ||
| Number of reflections | 102949 | ||
| <I/σ(I)> | 10.6 | ||
| Completeness [%] | 99.7 | 98.4 | 99.9 |
| Redundancy | 7.6 | 7.5 | 7.5 |
| CC(1/2) | 0.998 | 0.920 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 283 | 0.1M Bis-Tris-HCl (pH 6.5), 0.3M magnesium formate dihydrate |
