1VE6
Crystal structure of an acylpeptide hydrolase/esterase from Aeropyrum pernix K1
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2003-03-30 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 0.9795, 0.9799, 0.9800 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 64.730, 104.739, 170.944 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.770 - 2.100 |
| R-factor | 0.207 |
| Rwork | 0.193 |
| R-free | 0.22900 |
| Structure solution method | MAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.600 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.079 | 0.212 |
| Number of reflections | 118700 | |
| <I/σ(I)> | 16.6 | 6.1 |
| Completeness [%] | 99.2 | 97.5 |
| Redundancy | 7.4 | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 291 | PEG 4000, NaAC, DTT, EDTA, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
