4LN1
CRYSTAL STRUCTURE OF L-lactate dehydrogenase from Bacillus cereus ATCC 14579 complexed with calcium, NYSGRC Target 029452
Experimental procedure
| Experimental method | SAD |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-04-12 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9791 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 83.719, 75.453, 100.145 |
| Unit cell angles | 90.00, 89.99, 90.00 |
Refinement procedure
| Resolution | 42.980 - 1.900 |
| R-factor | 0.2103 |
| Rwork | 0.209 |
| R-free | 0.24100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4lmr |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.244 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.930 |
| High resolution limit [Å] | 1.900 | 5.160 | 1.900 |
| Rmerge | 0.064 | 0.044 | 0.426 |
| Number of reflections | 184605 | ||
| <I/σ(I)> | 10.8 | ||
| Completeness [%] | 95.4 | 90.4 | 95.4 |
| Redundancy | 2 | 1.9 | 2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 0.2M Ca-acetate, 0.1M sodium cacodylate:HCl, pH 6.5, 40% PEG300, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
