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 |
