3E08
H55S mutant Xanthomonas campestris tryptophan 2,3-dioxygenase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX10.1 |
| Synchrotron site | SRS |
| Beamline | PX10.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-10-10 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.045 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 77.912, 117.718, 138.978 |
| Unit cell angles | 90.00, 95.64, 90.00 |
Refinement procedure
| Resolution | 17.560 - 1.900 |
| Rwork | 0.178 |
| R-free | 0.21580 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2nw7 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.952 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 17.560 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.078 | 0.480 |
| Number of reflections | 189203 | |
| <I/σ(I)> | 7.3 | 2.6 |
| Completeness [%] | 93.6 | 87.1 |
| Redundancy | 4.1 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.3 | 291 | 9-10% PEG1000, 80mM MES (pH6.3), 20mM bicine (pH9.0), 40mM MnCl2, 400mM MgCl2, 8-15mM NaCN, 20mM L-Trp, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
