3LI2
Closed Conformation of HtsA Complexed with Staphyloferrin A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-11-07 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97934 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 52.280, 148.600, 52.270 |
Unit cell angles | 90.00, 117.14, 90.00 |
Refinement procedure
Resolution | 33.150 - 2.200 |
R-factor | 0.168 |
Rwork | 0.165 |
R-free | 0.21600 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.013 |
RMSD bond angle | 1.478 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.9) |
Phasing software | MOLREP |
Refinement software | REFMAC (refmac_5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 74.300 | 2.320 |
High resolution limit [Å] | 2.200 | 2.200 |
Number of reflections | 35659 | |
<I/σ(I)> | 10.8 | 4.1 |
Completeness [%] | 99.2 | 99.2 |
Redundancy | 4 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 0.05 M zinc acetate, 20 % PEG 3350, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |