5YWZ
AID-SUN tandem of SUN1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-11-22 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.979 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 73.636, 73.636, 97.456 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 34.442 - 2.200 |
R-factor | 0.1829 |
Rwork | 0.181 |
R-free | 0.22230 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5ed8 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.105 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.180 |
High resolution limit [Å] | 2.100 | 4.520 | 2.100 |
Rmerge | 0.099 | 0.033 | 0.707 |
Rmeas | 0.104 | 0.035 | 0.744 |
Rpim | 0.033 | 0.011 | 0.231 |
Number of reflections | 18348 | 1953 | 1779 |
<I/σ(I)> | 7 | ||
Completeness [%] | 99.9 | 99.4 | 100 |
Redundancy | 10.1 | 9.6 | 10.3 |
CC(1/2) | 0.999 | 0.964 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 289 | 0.1M MES pH 6.3, 0.6M MgSO4 |