5QUD
HumRadA1.2 soaked with napht-2,3-diol for 5 minutes at 20 mM
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-02-16 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.9794 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 68.988, 72.852, 40.314 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.426 - 1.300 |
R-factor | 0.1655 |
Rwork | 0.164 |
R-free | 0.19340 |
Structure solution method | MOLECULAR REPLACEMENT |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 36.426 | 36.426 | 1.380 |
High resolution limit [Å] | 1.300 | 3.880 | 1.300 |
Rmerge | 0.064 | 0.032 | 0.786 |
Rmeas | 0.070 | 0.035 | 0.922 |
Total number of observations | 276648 | ||
Number of reflections | 43006 | 2070 | 3380 |
<I/σ(I)> | 17.63 | 45.62 | 1.61 |
Completeness [%] | 84.7 | 99.3 | 41.9 |
Redundancy | 6.433 | 6.564 | 3.543 |
CC(1/2) | 0.999 | 0.999 | 0.586 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 50 mM Na/K phospate, 5% PEG1000H |