2PTZ
Crystal Structure of the T. brucei enolase complexed with phosphonoacetohydroxamate (PAH), His156-out conformation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS BEAMLINE D03B-MX1 |
| Synchrotron site | LNLS |
| Beamline | D03B-MX1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-12-01 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.42 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 73.858, 109.279, 107.946 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.950 - 1.650 |
| R-factor | 0.16692 |
| Rwork | 0.165 |
| R-free | 0.20344 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1oep |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.668 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.000 | 1.740 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.055 | 0.409 |
| Number of reflections | 50214 | |
| <I/σ(I)> | 26.4 | 3.9 |
| Completeness [%] | 95.5 | 91.4 |
| Redundancy | 8.3 | 8.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 291 | 10 % (w/v) PEG1000, 0.01 M ZnSO4 or ZnCl2, and 0.1 M MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
