3UIB
Map kinase LMAMPK10 from leishmania major in complex with SB203580
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 108 |
Detector technology | IMAGE PLATE |
Collection date | 2010-10-20 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.5418 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 80.900, 80.900, 131.020 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.090 - 2.650 |
R-factor | 0.2171 |
Rwork | 0.215 |
R-free | 0.24110 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.008 |
RMSD bond angle | 1.040 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.15) |
Phasing software | AMoRE |
Refinement software | BUSTER-TNT |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 43.090 | 43.089 | 2.770 |
High resolution limit [Å] | 2.650 | 8.320 | 2.630 |
Rmerge | 0.016 | 0.587 | |
Number of reflections | 13224 | ||
<I/σ(I)> | 13.7 | 37.9 | 1.3 |
Completeness [%] | 97.7 | 98.9 | 84.3 |
Redundancy | 4.5 | 4 | 4.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 12% PEG 4000, 0.1M HEPES, 4% ISOPROPANOL, 5% GLYCEROL,(ligand SB203580 was introduced by soaking), pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |