3QZM
Staphylococcus aureus IsdA NEAT domain H83A variant in complex with heme
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL7-1 |
Synchrotron site | SSRL |
Beamline | BL7-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-02-12 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 52.490, 51.760, 55.690 |
Unit cell angles | 90.00, 91.94, 90.00 |
Refinement procedure
Resolution | 55.658 - 1.250 |
R-factor | 0.1401 |
Rwork | 0.139 |
R-free | 0.16400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2itf |
RMSD bond length | 0.013 |
RMSD bond angle | 1.676 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.16) |
Phasing software | MOLREP |
Refinement software | REFMAC (refmac_5.5.0109) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 55.658 | 31.065 | 1.320 |
High resolution limit [Å] | 1.250 | 3.950 | 1.250 |
Rmerge | 0.028 | 0.141 | |
Total number of observations | 8258 | 26283 | |
Number of reflections | 80164 | ||
<I/σ(I)> | 14.7 | 22.7 | 5 |
Completeness [%] | 97.2 | 91.3 | 87 |
Redundancy | 3.4 | 3.3 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 0.2 M ammonium sulfate, 0.1 M Bis-Tris, 25% PEG 3350, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |