4WHB
Crystal structure of phenylurea hydrolase B
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-07-10 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9537 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 77.374, 100.526, 238.551 |
| Unit cell angles | 90.00, 98.37, 90.00 |
Refinement procedure
| Resolution | 39.595 - 2.958 |
| R-factor | 0.2552 |
| Rwork | 0.252 |
| R-free | 0.30910 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4wgx |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.769 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.120 | 3.020 |
| High resolution limit [Å] | 2.958 | 2.960 |
| Rmerge | 0.201 | 0.683 |
| Number of reflections | 75147 | |
| <I/σ(I)> | 8.3 | 2.6 |
| Completeness [%] | 99.2 | 99.8 |
| Redundancy | 5.6 | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277.15 | 0.02% (v/v) sodium azide, 0.2 M MgCl, 8% (v/v) PEG MME 550, 8% w/v PEG 20000, 0.05 MES at ph 6.5. |
