7A14
CRYSTAL STRUCTURE OF HUMAN METHIONINE AMINOPEPTIDASE-2 IN COMPLEX WITH AN INHIBITOR GSK2218325A (COMPOUND 32)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2008-06-05 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.54 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 87.343, 100.812, 99.047 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.900 - 2.140 |
R-factor | 0.1809 |
Rwork | 0.179 |
R-free | 0.21470 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2oaz |
RMSD bond length | 0.008 |
RMSD bond angle | 0.920 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | BUSTER (2.11.7 (6-FEB-2020)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.900 | 2.227 |
High resolution limit [Å] | 2.140 | 2.140 |
Rmerge | 0.082 | 0.434 |
Rmeas | 0.089 | 0.470 |
Rpim | 0.033 | 0.179 |
Number of reflections | 23219 | 21398 |
<I/σ(I)> | 19.7 | 3.9 |
Completeness [%] | 94.8 | 92.52 |
Redundancy | 7.1 | 6.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 293 | 200mM potassium phosphate pH 7.4, 100mM MnCl2, 5mM dithiothreitol (DTT) and 25-50% 2-methyl-2,4-pentanediol (MPD) |