2PWZ
Crystal structure of the apo form of E.Coli malate dehydrogenase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX10.1 |
| Synchrotron site | SRS |
| Beamline | PX10.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-01-29 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.283 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 146.466, 52.485, 170.200 |
| Unit cell angles | 90.00, 102.28, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.200 |
| R-factor | 0.201 |
| Rwork | 0.199 |
| R-free | 0.24600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ie3 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.493 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 71.610 | 2.320 |
| High resolution limit [Å] | 2.200 | 6.960 | 2.200 |
| Rmerge | 0.121 | 0.070 | 0.411 |
| Total number of observations | 7716 | 27515 | |
| Number of reflections | 63286 | ||
| <I/σ(I)> | 4.6 | 6.8 | 1.5 |
| Completeness [%] | 97.6 | 99.7 | 92.5 |
| Redundancy | 3.5 | 3.5 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 20% (W/V) PEG 10000, 100 mM SODIUM HEPES pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
