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 |