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 |