5BQF
Probable 2-hydroxyacid dehydrogenase from Rhizobium etli CFN 42 in complex with NADP, HEPES and L(+)-tartaric acid
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 300 |
| Detector technology | CCD |
| Collection date | 2014-11-08 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 65.692, 65.692, 151.406 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.450 |
| R-factor | 0.1398 |
| Rwork | 0.139 |
| R-free | 0.16540 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4xcv |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.441 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.480 |
| High resolution limit [Å] | 1.450 | 3.940 | 1.450 |
| Rmerge | 0.063 | 0.039 | 0.547 |
| Rmeas | 0.072 | 0.044 | 0.633 |
| Rpim | 0.035 | 0.021 | 0.313 |
| Total number of observations | 231378 | ||
| Number of reflections | 58208 | ||
| <I/σ(I)> | 10.9 | 1.9 | |
| Completeness [%] | 97.5 | 88.6 | 99.5 |
| Redundancy | 4 | 3.9 | 3.9 |
| CC(1/2) | 0.998 | 0.759 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 300 | 0.2 ul of 15 mg/ml protein in 20 mM HEPES pH 7.5, 150 mM NaCl, 10% Glycerol, 0.1% Sodium Azide, 0.5 mM TCEP 10 mM NADP were mixed with 0.2 ul of the MCSG Suite 2 condition #71 (0.2M Na tartrate, 20%w/v PEG 3350) and equilibrated against 1.5 M NaCl solution in 96 Well 3 drop Crystallization Plate (Swissci). Before crystallization the protein was incubated with 1/50 v/v of 2 mg/ml TEV solution |
