3ZBH
Geobacillus thermodenitrificans EsxA crystal form I
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Collection date | 2012-02-19 |
Detector | DECTRIS TWO-DIMENSIONAL HYBRID PIXEL ARRAY |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 84.948, 58.641, 85.219 |
Unit cell angles | 90.00, 112.36, 90.00 |
Refinement procedure
Resolution | 34.280 - 1.940 |
R-factor | 0.21131 |
Rwork | 0.209 |
R-free | 0.25901 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | GTHESXA CRYSTAL FORM II |
RMSD bond length | 0.010 |
RMSD bond angle | 1.266 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 35.000 | 2.040 |
High resolution limit [Å] | 1.940 | 1.940 |
Rmerge | 0.070 | 0.200 |
Number of reflections | 56211 | |
<I/σ(I)> | 17.9 | 4.2 |
Completeness [%] | 98.0 | 96.9 |
Redundancy | 5.7 | 2.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 4.5 | RESERVOIR 0.1 M NH4AC PH4.5, 1 M (NH4)2PO4 |