5TS8
Z. MAYS CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 5,6-DIBROMOBENZOTRIAZOLE
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2) |
Synchrotron site | PETRA III, EMBL c/o DESY |
Beamline | P14 (MX2) |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-08-06 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9116 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 54.311, 59.726, 105.385 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 51.960 - 1.450 |
R-factor | 0.14989 |
Rwork | 0.149 |
R-free | 0.16945 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4rlk |
RMSD bond length | 0.012 |
RMSD bond angle | 1.454 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 51.960 | 1.540 |
High resolution limit [Å] | 1.450 | 1.450 |
Rmerge | 0.057 | 0.550 |
Number of reflections | 60461 | |
<I/σ(I)> | 14.19 | 2.81 |
Completeness [%] | 98.0 | 95.9 |
Redundancy | 3.23 | 2.78 |
CC(1/2) | 0.990 | 0.840 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | pH 7.5 (1M Sodium HEPES; MOPS), 40% v/v PEG 500* MME; 20 % w/v PEG 20K; 0.2M Sodium formate; 0.2M Ammonium acetate; 0.2M Sodium citrate tribasic dihydrate; 0.2M Sodium potassium tartrate tetrahydrate; 0.2M Sodium oxamate |