3ABF
Crystal Structure of a 4-Oxalocrotonate Tautomerase Homologue (TTHB242)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-6A |
| Synchrotron site | Photon Factory |
| Beamline | BL-6A |
| Temperature [K] | 293 |
| Detector technology | CCD |
| Collection date | 2002-10-12 |
| Detector | ADSC QUANTUM 4r |
| Wavelength(s) | 0.978 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 55.227, 70.676, 89.906 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.520 - 1.940 |
| R-factor | 0.193 |
| Rwork | 0.193 |
| R-free | 0.22800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1bjp |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | CNS |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.010 |
| High resolution limit [Å] | 1.940 | 4.180 | 1.940 |
| Rmerge | 0.057 | 0.037 | 0.292 |
| Number of reflections | 26856 | ||
| <I/σ(I)> | 22.231 | ||
| Completeness [%] | 99.7 | 98.9 | 98.3 |
| Redundancy | 4 | 3.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.6 | 290 | 0.6M MgSO4, 0.1M sodium citrate pH 5.6, vapor diffusion, sitting drop, temperature 290K |
