7BGT
Mason-Pfizer Monkey Virus Protease mutant C7A/D26N/C106A in complex with peptidomimetic inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-09-07 |
Detector | RAYONIX MX-225 |
Wavelength(s) | 0.82657 |
Spacegroup name | P 1 |
Unit cell lengths | 29.296, 67.618, 69.716 |
Unit cell angles | 76.84, 83.88, 83.64 |
Refinement procedure
Resolution | 32.420 - 1.930 |
R-factor | 0.1782 |
Rwork | 0.177 |
R-free | 0.21180 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6s1v chain B |
RMSD bond length | 0.008 |
RMSD bond angle | 1.105 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 32.420 | 2.050 |
High resolution limit [Å] | 1.929 | 1.929 |
Rmerge | 0.070 | 0.637 |
Rmeas | 0.095 | 0.860 |
Number of reflections | 37694 | 6043 |
<I/σ(I)> | 9.4 | 1.49 |
Completeness [%] | 97.0 | 96.3 |
Redundancy | 2.22 | |
CC(1/2) | 0.997 | 0.555 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.7 | 292 | Protein solution: 4.7 mg/mL protein with 1.4-fold molar excess (relative to dimeric protein) of the inhibitor, 10 mM Tris buffer pH 7.4; Reservoir solution: 0.1 M imidazole buffer, 0.6 M sodium acetate; |