4XBA
Hnt3
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-08-20 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 52.761, 72.509, 53.926 |
Unit cell angles | 90.00, 111.25, 90.00 |
Refinement procedure
Resolution | 50.261 - 1.500 |
R-factor | 0.1591 |
Rwork | 0.157 |
R-free | 0.19120 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3szq |
RMSD bond length | 0.014 |
RMSD bond angle | 1.569 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 72.510 | 1.580 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.070 | 0.831 |
Number of reflections | 59945 | |
<I/σ(I)> | 13.4 | 2.5 |
Completeness [%] | 99.0 | 99.4 |
Redundancy | 6.6 | 6.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 295 | 16%(w/v) PEG3350, 0.15 M Li2SO4, 0.1 M Tris-HCl, pH 8.0 |