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 |