4HLT
Crystal structure of ferric E32V Pirin
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-10-11 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 42.414, 66.635, 107.330 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 31.840 - 1.700 |
R-factor | 0.1868 |
Rwork | 0.184 |
R-free | 0.23410 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4gul |
RMSD bond length | 0.023 |
RMSD bond angle | 2.353 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 31.840 | 1.730 |
High resolution limit [Å] | 1.700 | 1.700 |
Number of reflections | 33036 | |
<I/σ(I)> | 55.14 | |
Completeness [%] | 97.1 | 79.8 |
Redundancy | 12.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 289 | PEG 20000, 0.1 MES , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K |