5SB0
DDR1, N-[[2-(2-pyridin-3-yloxyethyl)cyclohexyl]methyl]-3-(trifluoromethoxy)benzamide, 1.970A, P212121, Rfree=25.6%
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-07-18 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.000010 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 62.056, 76.661, 77.783 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.234 - 1.970 |
R-factor | 0.2104 |
Rwork | 0.208 |
R-free | 0.25560 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | inhouse model |
RMSD bond length | 0.009 |
RMSD bond angle | 1.032 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (dev_1745) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.230 | 48.234 | 2.020 |
High resolution limit [Å] | 1.970 | 8.810 | 1.970 |
Rmerge | 0.105 | 0.031 | 2.569 |
Rmeas | 0.113 | 0.034 | 2.786 |
Total number of observations | 167414 | ||
Number of reflections | 26911 | 362 | 1955 |
<I/σ(I)> | 7.05 | 30.94 | 0.7 |
Completeness [%] | 99.9 | 98.9 | 100 |
Redundancy | 6.21 | 5.82 | 6.734 |
CC(1/2) | 0.998 | 0.999 | 0.355 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 11.6 mg/mL protein in 20mM HEPES/NaOH pH7.5, 5mM DTT, 5% glycerol, 0.1M NaCl mixed with reservoir consisting of 0.1M Sodium Citrate pH 5.5, 0.2M Sodium Acetate, 10% PEG 4000 |