3QL2
Crystal Structure of Ribonuclease A Variant A4C/D83E/V118C
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.1 |
Synchrotron site | BESSY |
Beamline | 14.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-10-08 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.91841 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 102.888, 30.694, 74.752 |
Unit cell angles | 90.00, 93.15, 90.00 |
Refinement procedure
Resolution | 31.010 - 1.490 |
R-factor | 0.16939 |
Rwork | 0.167 |
R-free | 0.20913 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7rsa |
RMSD bond length | 0.025 |
RMSD bond angle | 2.244 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.1.4) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 35.080 | 1.530 | |
High resolution limit [Å] | 1.490 | 6.660 | 1.490 |
Rmerge | 0.040 | 0.018 | 0.502 |
Rmeas | 0.023 | 0.644 | |
Number of reflections | 36486 | 458 | 1889 |
<I/σ(I)> | 15.23 | 43.62 | 1.89 |
Completeness [%] | 94.4 | 94.2 | 66.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.8 | 293 | 0.1M sodium acetate, 0.2M ammonium sulfate, 25% (w/v) PEG 4000, 10mM calcium chloride, pH 4.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K |