4LMR
Crystal structure of L-lactate dehydrogenase from Bacillus cereus ATCC 14579, NYSGRC Target 029452
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| 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 | I 41 2 2 |
| Unit cell lengths | 177.276, 177.276, 168.975 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.710 - 2.450 |
| R-factor | 0.1639 |
| Rwork | 0.163 |
| R-free | 0.17940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3pqd |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.239 |
| 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 | 2.490 |
| High resolution limit [Å] | 2.450 | 6.650 | 2.450 |
| Rmerge | 0.081 | 0.031 | 0.674 |
| Number of reflections | 94016 | ||
| <I/σ(I)> | 10.8 | ||
| Completeness [%] | 100.0 | 99.7 | 100 |
| Redundancy | 7.3 | 7.8 | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 298 | 0.1M Tris-HCl, pH 8.5, 3.5M sodium formate, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
