7A13
CRYSTAL STRUCTURE OF HUMAN METHIONINE AMINOPEPTIDASE-2 IN COMPLEX WITH AN INHIBITOR GSK1978537A (COMPOUND 27)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-01-22 |
| Detector | MAR CCD 130 mm |
| Wavelength(s) | 1.54 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 89.195, 100.770, 99.396 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.970 - 2.040 |
| R-factor | 0.167 |
| Rwork | 0.166 |
| R-free | 0.19700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2oaz |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.010 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.970 | 2.114 |
| High resolution limit [Å] | 2.040 | 2.040 |
| Rmerge | 0.042 | 0.137 |
| Rmeas | 0.046 | 0.148 |
| Rpim | 0.017 | 0.056 |
| Number of reflections | 28740 | 25060 |
| <I/σ(I)> | 31.7 | 12.4 |
| Completeness [%] | 99.7 | 98.3 |
| Redundancy | 7.1 | 6.8 |
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). |
