5UN8
Crystal Structure of human O-GlcNAcase in complex with glycopeptide p53
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-D |
Synchrotron site | APS |
Beamline | 21-ID-D |
Temperature [K] | 80 |
Detector technology | CCD |
Collection date | 2016-06-04 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.978 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 89.909, 95.393, 149.320 |
Unit cell angles | 90.00, 96.91, 90.00 |
Refinement procedure
Resolution | 148.240 - 2.130 |
R-factor | 0.1866 |
Rwork | 0.184 |
R-free | 0.22945 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5tke |
RMSD bond length | 0.020 |
RMSD bond angle | 1.874 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 148.240 | 2.180 |
High resolution limit [Å] | 2.130 | 2.140 |
Rpim | 0.042 | 0.379 |
Number of reflections | 139265 | 6934 |
<I/σ(I)> | 18.4 | 2 |
Completeness [%] | 99.9 | 100 |
Redundancy | 4.9 | 4.5 |
CC(1/2) | 0.781 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 293 | 0.032 M ammonium citrate tribasic (pH 7.0), 0.02 M MES monohydrate, 0.016 M imidazole, 0.002 M zinc sulfate heptahydrate, 0.128 M potassium thiocyanate, 12.8% w/v polyethylene glycol 3,350, 3.2% w/v polyethylene glycol monomethyl ether 2,000, and 5% w/v polyethylene glycol monomethyl ether 550. |