2QY0
Active dimeric structure of the catalytic domain of C1r reveals enzyme-product like contacts
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL41XU |
Synchrotron site | SPring-8 |
Beamline | BL41XU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2002-04-18 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 1.000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 74.541, 92.416, 162.848 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 54.310 - 2.600 |
R-factor | 0.21306 |
Rwork | 0.211 |
R-free | 0.25938 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1gpz |
RMSD bond length | 0.015 |
RMSD bond angle | 1.498 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | BEAST |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 54.981 | 2.670 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.089 | 0.489 |
Number of reflections | 35308 | |
<I/σ(I)> | 6.1 | 1.5 |
Completeness [%] | 99.7 | 98.9 |
Redundancy | 6.7 | 6.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 288 | 14% (w/v) PEG 6000, 0.2 M NaCl, 10% (v/v) glycerol, 0.1 M Tris HCl, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 288K |