2CJU
Crystal structure of the TEPC15-Vk45.1 anti-2-phenyl-5-oxazolone NQ16- 113.8 scFv in complex with phOxGABA
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-09-29 |
| Detector | ADSC CCD |
| Spacegroup name | I 21 21 21 |
| Unit cell lengths | 51.970, 74.190, 134.180 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.500 |
| R-factor | 0.241 |
| Rwork | 0.241 |
| R-free | 0.29100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1flr |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.400 |
| Data reduction software | HKL |
| Data scaling software | HKL |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.700 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.070 | 0.340 |
| Number of reflections | 17246 | |
| <I/σ(I)> | 10.8 | |
| Completeness [%] | 97.4 | 89.3 |
| Redundancy | 3.1 | 1.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.4 | 290 | 0.1 M TRIS-HCL, PH 8.4, 0.2 M AMMONIUM SULPHATE, 37% PEG 8K, 6% SUCROSE |
