5QUQ
HumRadA1 soaked with 1 mM indazole in 10% DMSO
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-02-01 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9535 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 40.027, 61.607, 86.790 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.305 - 1.249 |
R-factor | 0.1732 |
Rwork | 0.172 |
R-free | 0.19280 |
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] | 31.305 | 31.305 | 1.320 |
High resolution limit [Å] | 1.250 | 3.730 | 1.250 |
Rmerge | 0.051 | 0.032 | 0.269 |
Rmeas | 0.056 | 0.036 | 0.296 |
Total number of observations | 405016 | ||
Number of reflections | 59538 | 2078 | 9265 |
<I/σ(I)> | 23.16 | 46.43 | 6.59 |
Completeness [%] | 98.7 | 84.5 | 96.3 |
Redundancy | 6.803 | 5.541 | 5.745 |
CC(1/2) | 0.999 | 0.998 | 0.953 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 50 mM Na/K phospate, 5% PEG1000H |