Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-10-08 |
Detector | RAYONIX MX300-HS |
Wavelength(s) | 1.0 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 128.760, 128.760, 223.590 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 37.170 - 2.500 |
R-factor | 0.2012 |
Rwork | 0.196 |
R-free | 0.23200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3mrm |
RMSD bond length | 0.015 |
RMSD bond angle | 0.768 |
Data scaling software | XDS |
Phasing software | PHENIX (dev_1958) |
Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 48.720 |
High resolution limit [Å] | 2.070 |
Rmerge | 0.077 |
Number of reflections | 78081 |
<I/σ(I)> | 1.13 |
Completeness [%] | 86.0 |
Redundancy | 11.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.1 | 298 | 13% PEG 3350, 0.1M Sodium Cacodylate, 0.2m Ammonium Sulfate, 3% w/v 1,5-Diaminopentane dihydrochloride |