3RY7
Crystal Structure of Sa239
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-09-12 |
Detector | RAYONIX MX-325 |
Wavelength(s) | 0.9794 |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 93.752, 93.752, 165.270 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 50.000 - 2.150 |
R-factor | 0.21756 |
Rwork | 0.216 |
R-free | 0.25295 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1gqt |
RMSD bond length | 0.011 |
RMSD bond angle | 1.181 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.190 |
High resolution limit [Å] | 2.150 | 2.150 |
Rmerge | 0.108 | |
Number of reflections | 24271 | |
<I/σ(I)> | 20.3 | |
Completeness [%] | 99.9 | 100 |
Redundancy | 9.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.6 | 295 | 23% PEG 3000 (w/v), 0.1M sodium citrate, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 295K |