Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 12.3.1 |
Synchrotron site | ALS |
Beamline | 12.3.1 |
Temperature [K] | 105 |
Detector technology | CCD |
Collection date | 2011-09-08 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.11435 |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 205.258, 205.258, 235.372 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 123.540 - 4.802 |
R-factor | 0.2765 |
Rwork | 0.276 |
R-free | 0.28160 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.091 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.3_1479) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 200.000 | 200.000 | 4.970 |
High resolution limit [Å] | 4.800 | 10.340 | 4.800 |
Rmerge | 0.114 | 0.049 | 0.573 |
Number of reflections | 45946 | ||
<I/σ(I)> | 8.5 | ||
Completeness [%] | 98.0 | 99.9 | 95.8 |
Redundancy | 4.2 | 7 | 2.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 298 | 75 mM Sodium Acetate, 1.0 M Ammonium Phosphate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |