6SLF
Nalpha-acylglutamine aminoacylase from Corynebacterium sp.releasing human axilla odorants co-crystallised with high affinity inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 296 |
| Detector technology | CCD |
| Collection date | 2006-09-01 |
| Detector | ADSC QUANTUM 1 |
| Wavelength(s) | 1.282 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.688, 181.919, 93.122 |
| Unit cell angles | 90.00, 104.14, 90.00 |
Refinement procedure
| Resolution | 29.580 - 1.750 |
| R-factor | 0.1835 |
| Rwork | 0.182 |
| R-free | 0.20960 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1xmb 1ysj |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.387 |
| Data reduction software | CrystalClear |
| Data scaling software | d*TREK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.580 | 1.800 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.011 | 0.042 |
| Number of reflections | 164787 | 164787 |
| <I/σ(I)> | 8.3 | |
| Completeness [%] | 100.0 | 99.9 |
| Redundancy | 6.93 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 296 | 90microL of 30% PEG4K, 0.22M sodium acetate, 0.1M Tris pH 8.5 + 10microL of Index screen (Hampton Research) containing 0.2M ammonium sulphate, 0.1M Bis-Tris pH6.5, 25%PEG3350 |
