Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2010-11-27 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 95.270, 143.320, 104.370 |
Unit cell angles | 90.00, 110.98, 90.00 |
Refinement procedure
Resolution | 48.730 - 3.500 |
R-factor | 0.2675 |
Rwork | 0.266 |
R-free | 0.28990 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4P6V |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1-4487) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.730 | 48.730 | 3.700 |
High resolution limit [Å] | 3.500 | 10.000 | 3.500 |
Rmerge | 0.075 | 0.025 | 2.907 |
Rmeas | 0.082 | 0.027 | 3.136 |
Total number of observations | 225415 | ||
Number of reflections | 32938 | 1448 | 4951 |
<I/σ(I)> | 12.6 | 55.76 | 0.8 |
Completeness [%] | 99.3 | 97.6 | 98.1 |
Redundancy | 6.844 | 6.31 | 7.022 |
CC(1/2) | 1.000 | 0.999 | 0.373 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 277 | 40 mM KSCN, 21.0% PEG 2000MME, 100 mM Tris-acetic acid, 8% 1-propanol |