3WAH
Crystal Structure of HasAp with Iron MesoporphyrinIX
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL26B1 |
Synchrotron site | SPring-8 |
Beamline | BL26B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-01-26 |
Detector | RIGAKU SATURN A200 |
Wavelength(s) | 1.000 |
Spacegroup name | P 31 |
Unit cell lengths | 47.518, 47.518, 140.893 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.700 - 1.540 |
R-factor | 0.1762 |
Rwork | 0.175 |
R-free | 0.19380 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ell |
RMSD bond length | 0.014 |
RMSD bond angle | 1.350 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.600 |
High resolution limit [Å] | 1.540 | 3.320 | 1.540 |
Rmerge | 0.067 | 0.054 | 0.270 |
Number of reflections | 51545 | ||
<I/σ(I)> | 21.1 | ||
Completeness [%] | 97.7 | 99.2 | 85.7 |
Redundancy | 4.7 | 5 | 2.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 80% (v/v) PEG 400, 0.1M MES, 0.1M Ammonium chloride, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |