1KWB
Crystal structure of the His145Ala mutant of 2,3-dihydroxybipheny dioxygenase (BphC)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-18B |
| Synchrotron site | Photon Factory |
| Beamline | BL-18B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-10-08 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.0 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 121.650, 121.650, 109.153 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 84.520 - 2.000 |
| R-factor | 0.16642 |
| Rwork | 0.166 |
| R-free | 0.19100 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.380 * |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 84.500 * | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.096 * | 0.254 |
| Number of reflections | 27854 | |
| <I/σ(I)> | 6.6 | |
| Completeness [%] | 99.8 | 99.6 |
| Redundancy | 9.7 | 9.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Batch method * | 7.5 | 12 * | Uragami, Y., (2001) J.Inorg.Biochem., 83, 269. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | 1 | protein | 10 (mg/ml) | |
| 2 | 1 | 1 | Tris-HCl | 100 (mM) | |
| 3 | 1 | 1 | ammonium sulfate | 27.7 (%sat) | |
| 4 | 1 | 1 | hexylene glycol | 18 (%(v/v)) |
