2V4I
Structure of a novel N-acyl-enzyme intermediate of an N-terminal nucleophile (Ntn) hydrolase, OAT2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-11-14 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 73.455, 180.163, 60.962 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.700 - 2.200 |
| R-factor | 0.2156 |
| Rwork | 0.214 |
| R-free | 0.24660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1vz6 |
| RMSD bond length | 0.000 |
| RMSD bond angle | 1.000 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | RIGID-BODY (REFINEMENT) |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.700 | 2.320 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.260 | 0.900 |
| Number of reflections | 79849 | |
| <I/σ(I)> | 6 | 1.4 |
| Completeness [%] | 99.6 | 100 |
| Redundancy | 3.6 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 1.4 M AMMONIUM SULPHATE, 0.025 M NACL, 0.1M HEPES-NA PH 7.5, 0.1 M NAG, 20 MM CDCL2 |
