3OQZ
Semi-synthetic ribonuclease S: meta-cyano-phenylalanine at position 8
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL12-2 |
Synchrotron site | SSRL |
Beamline | BL12-2 |
Temperature [K] | 100 |
Collection date | 2008-03-15 |
Wavelength(s) | 0.9795 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 99.850, 31.679, 69.171 |
Unit cell angles | 90.00, 90.93, 90.00 |
Refinement procedure
Resolution | 40.792 - 2.500 |
R-factor | 0.2067 |
Rwork | 0.204 |
R-free | 0.26800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1rnv |
RMSD bond length | 0.007 |
RMSD bond angle | 1.045 |
Data reduction software | HKL-2000 |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 69.171 |
High resolution limit [Å] | 2.500 |
Number of reflections | 7757 |
Completeness [%] | 99.9 |
Redundancy | 3.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 279 | 25% PEG 4000, 0.08M ammonium acetate, 0.1 M sodium citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 279K |