3Q5I
Crystal Structure of PBANKA_031420
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 | 2010-09-21 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97949 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 48.467, 107.138, 54.303 |
Unit cell angles | 90.00, 108.21, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.100 |
R-factor | 0.19723 |
Rwork | 0.194 |
R-free | 0.25025 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3hx4 |
RMSD bond length | 0.015 |
RMSD bond angle | 1.514 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER (2.1.4) |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 53.570 | 50.000 | 2.140 |
High resolution limit [Å] | 2.100 | 5.700 | 2.100 |
Rmerge | 0.118 | 0.029 | 0.916 |
Number of reflections | 30757 | ||
<I/σ(I)> | 7.2 | 1.72 | |
Completeness [%] | 100.0 | 99.9 | 99.9 |
Redundancy | 4.3 | 4.2 | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 20 % PEG 3350, 0.2 M CaCl2, 5 mM AMPPNP, 5 mM CaCL2, 2.5 mM MgCl2, glycerol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |