3N0T
Human dipeptidil peptidase DPP7 complexed with inhibitor GSK237826A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E+ SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2010-05-05 |
Detector | RIGAKU RAXIS HTC |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 80.546, 130.500, 125.075 |
Unit cell angles | 90.00, 102.28, 90.00 |
Refinement procedure
Resolution | 20.010 - 2.450 |
R-factor | 0.2206 |
Rwork | 0.218 |
R-free | 0.26010 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3jyh |
RMSD bond length | 0.010 |
RMSD bond angle | 1.070 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | BUSTER-TNT |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 122.213 | 20.000 | 2.490 |
High resolution limit [Å] | 2.450 | 6.570 | 2.450 |
Rmerge | 0.117 | 0.043 | 0.793 |
Number of reflections | 92014 | ||
<I/σ(I)> | 10.4 | ||
Completeness [%] | 99.5 | 99.8 | 99.7 |
Redundancy | 3.3 | 3.7 | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 300 | 2M AMMONIUM SULFATE, 0.2M SODIUM ACETATE, 0.1M HEPES, 5% MPD, PH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 300K |