5XTR
Crystal structure of baculoviral sulfhydryl oxidase P33 (R127A, E183A mutant)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-11-18 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9789 |
Spacegroup name | P 1 |
Unit cell lengths | 59.136, 76.204, 80.231 |
Unit cell angles | 84.32, 70.83, 69.27 |
Refinement procedure
Resolution | 37.883 - 2.250 |
R-factor | 0.2454 |
Rwork | 0.243 |
R-free | 0.28680 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3qzy |
RMSD bond length | 0.008 |
RMSD bond angle | 0.996 |
Data reduction software | d*TREK (9.9.9.4D) |
Data scaling software | d*TREK (9.9.9.4D) |
Phasing software | PHENIX (1.11.1_2575) |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 37.910 | 37.910 | 2.330 |
High resolution limit [Å] | 2.250 | 4.840 | 2.250 |
Rmerge | 0.057 | 0.040 | 0.244 |
Rmeas | 0.081 | 0.056 | 0.344 |
Number of reflections | 53132 | 5482 | |
<I/σ(I)> | 7.4 | 16.9 | 2.2 |
Completeness [%] | 90.5 | 88.6 | 92.9 |
Redundancy | 1.83 | 1.83 | 1.84 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.3 | 293 | PEG3350 |