3A6E
W174F mutant creatininase, type I
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] | 100 |
| Detector technology | CCD |
| Collection date | 2006-06-17 |
| Detector | ADSC QUANTUM 4r |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 105.900, 59.700, 145.100 |
| Unit cell angles | 90.00, 99.70, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.000 |
| Rwork | 0.196 |
| R-free | 0.22900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1j2u |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.220 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.060 |
| High resolution limit [Å] | 1.970 | 1.970 |
| Rmerge | 0.056 | 0.161 |
| Number of reflections | 123961 | |
| <I/σ(I)> | 34.7 | 10.6 |
| Completeness [%] | 97.6 | 87.3 |
| Redundancy | 3.8 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 42%(v/v) PEG200, 10mM Magnesium chloride, 100mM Sodium cacodylate buffer, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
