2PUR
Structure of dihydrodipicolinate synthase mutant Thr44Ser at 1.7 A.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 110 |
| Detector technology | IMAGE PLATE |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 121.040, 121.040, 110.319 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 33.310 - 1.700 |
| R-factor | 0.18049 |
| Rwork | 0.179 |
| R-free | 0.20733 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1xyc with residue 44 in each chain removed. |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.469 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.310 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.054 | 0.380 |
| Number of reflections | 101750 | |
| <I/σ(I)> | 12.6 | 3 |
| Completeness [%] | 99.2 | 100 |
| Redundancy | 4.1 | 3.91 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 10 | 280 | Drops contained: protein solution (~5 mg mL-1 in Tris.HCl 20 mM, pH 8, 2.5 uL), precipitant (K2HPO4 1.8 M, pH 10, 1.2 uL), and N-octyl-beta-R-glucopyranoside (6% w/v, 0.6 uL). Crystals appeared after 3-5 days and grew to dimensions of up to 0.2 mm., VAPOR DIFFUSION, HANGING DROP, temperature 280K |
