6XJ5
Carboxypeptidase G2 modified with a versatile bioconjugate for metalloprotein design
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 93 |
Detector technology | PIXEL |
Collection date | 2019-06-30 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.0332 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 72.120, 188.460, 124.500 |
Unit cell angles | 90.00, 90.17, 90.00 |
Refinement procedure
Resolution | 41.500 - 3.110 |
Rwork | 0.271 |
R-free | 0.30860 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1cg2 |
RMSD bond length | 0.003 |
RMSD bond angle | 1.144 |
Data reduction software | xia2 (0.5.898-g5f4e2fb3-dials-1.14) |
Data scaling software | xia2 (0.5.898-g5f4e2fb3-dials-1.14) |
Phasing software | PHASER (2.8.3) |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.500 | 3.160 |
High resolution limit [Å] | 3.110 | 3.110 |
Rmerge | 0.389 | 1.949 |
Rmeas | 0.423 | 2.106 |
Rpim | 0.164 | 0.793 |
Number of reflections | 59536 | 2967 |
<I/σ(I)> | 4.3 | 1.1 |
Completeness [%] | 99.9 | 99.93 |
Redundancy | 6.6 | 6.91 |
CC(1/2) | 0.977 | 0.358 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | Reservoir consisted of 750 uL of 0.2 M Tris pH 7.5, 10% PEG 3350, and 5% glycerol. 2 uL of reservoir solution was mixed with 2 uL of protein solution, consisting of 4.7 mg/mL CPG2 in 50 mM Tris 100 mM NaCl pH 7.4 supplemented with 0.1 M ZnSO4 |