4HN1
Crystal Structure of H60N/Y130F double mutant of ChmJ, a 3'-monoepimerase from Streptomyces bikiniensis in complex with dTDP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-BM |
| Synchrotron site | APS |
| Beamline | 19-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-08-04 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.979 |
| Spacegroup name | I 4 |
| Unit cell lengths | 141.017, 141.017, 116.434 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.600 |
| R-factor | 0.21385 |
| Rwork | 0.212 |
| R-free | 0.25373 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4hmz |
| RMSD bond length | 0.010 |
| RMSD bond angle | 2.313 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 99.710 | 1.660 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Number of reflections | 143838 | |
| <I/σ(I)> | 2.07 | |
| Completeness [%] | 96.1 | 93.6 |
| Redundancy | 4.9 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 20% PEG 3400, 2% 3-methyl-1,5-pentanediol, 100 mM MOPS, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
