1XVL
The three-dimensional structure of MntC from Synechocystis 6803
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-07-23 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.978601, 0.979615, 0.979847, 0.976837 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 128.553, 128.553, 91.050 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 8.000 - 2.900 |
| R-factor | 0.24 |
| Rwork | 0.234 |
| R-free | 0.28900 |
| Structure solution method | MAD |
| Starting model (for MR) | PDB entries 1PSZ 1TOA and 1PQ4 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SHELXD |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 3.000 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.072 | 0.445 |
| Number of reflections | 18595 | |
| <I/σ(I)> | 11.8 | 2.8 |
| Completeness [%] | 99.7 | 98.5 |
| Redundancy | 8.6 | 8.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | PEG 4000, zinc acetate, cacodylate, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
