3C77
1.08 A crystal structure of nitrophorin 4 from Rhodnius prolixus containing FE(III) deuteroporphyrin ix complexed with ammonia at ph 7.5
Replaces: 2AT4Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 14-BM-C |
Synchrotron site | APS |
Beamline | 14-BM-C |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-07-31 |
Detector | ADSC QUANTUM 4 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 70.156, 42.745, 52.821 |
Unit cell angles | 90.00, 94.03, 90.00 |
Refinement procedure
Resolution | 21.800 - 1.080 |
R-factor | 0.137 |
Rwork | 0.137 |
R-free | 0.16200 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1x8p |
RMSD bond length | 0.015 |
RMSD bond angle | 1.726 |
Data scaling software | CrystalClear (V. 1.3 D*TREK (MSC/RIGAKU)) |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 21.800 | 1.110 |
High resolution limit [Å] | 1.070 | 1.070 |
Rmerge | 0.060 | 0.180 |
Number of reflections | 65307 | |
<I/σ(I)> | 16.1 | 3.6 |
Completeness [%] | 94.9 | 91 |
Redundancy | 6.68 | 6.06 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 300 | AMMONIUM PHOSPHATE, pH 7.50, temperature 300.0K, VAPOR DIFFUSION, HANGING DROP |