Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.2.2 |
Synchrotron site | ALS |
Beamline | 8.2.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-09-25 |
Detector | ADSC QUANTUM 315r |
Spacegroup name | P 62 |
Unit cell lengths | 128.487, 128.487, 52.806 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 64.330 - 2.950 |
R-factor | 0.1918 |
Rwork | 0.185 |
R-free | 0.25330 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2hyy |
RMSD bond length | 0.012 |
RMSD bond angle | 1.616 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP (AUTO MR) |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 64.240 | 3.180 |
High resolution limit [Å] | 2.950 | 2.950 |
Rmerge | 0.100 | 0.690 |
Number of reflections | 104864 | |
<I/σ(I)> | 15.5 | 3.1 |
Completeness [%] | 93.4 | 98.2 |
Redundancy | 10.5 | 10.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291 | 6.3 MG/ML OF LYSINE MODIFIED (ETHYLATED) PROTEIN IN 50 MM TRIS PH 8.0, 500 MM NACL, 5% GLYCEROL, 20 MM MGCL2, 2 MM IMIDAZOLE, 1 MM AMPPCP, MIXED 1:1 WITH 2.2 M AMMONIUM SULFATE, HANGING DROP, 18C |