3Q23
X-ray crystal structure of the N4 mini-VRNAP and P2_7a promoter transcription initiation complex with GMPCPP and Manganese: sustrate complex II
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS BEAMLINE X25 |
Synchrotron site | NSLS |
Beamline | X25 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-11-10 |
Detector | ADSC QUANTUM 315 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 82.834, 111.861, 276.093 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.800 |
R-factor | 0.201 |
Rwork | 0.200 |
R-free | 0.23100 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.066 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | CNS |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.064 | 0.545 |
Number of reflections | 234419 | |
<I/σ(I)> | 10.5 | |
Completeness [%] | 99.0 | 91.5 |
Redundancy | 6 | 4.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 294 | 0.1 M TRIS-HCL, 0.21 M DIBASIC AMMONIUM CITRATE, 0.09 M AMMONIUM DIHYDROGEN MONOPHOSPHATE, 25 % (DROP) 20% (RESERVOIR) PEG 3350, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
Crystallization Reagents
ID | crystal ID | solution ID | reagent name | concentration | details |
1 | 1 | 1 | TRIS-HCL | ||
2 | 1 | 1 | DIBASIC AMMONIUM CITRATE | ||
3 | 1 | 1 | AMMONIUM DIHYDROGEN MONOPHOSPHATE | ||
4 | 1 | 1 | PEG 3350 | ||
5 | 1 | 2 | TRIS-HCL | ||
6 | 1 | 2 | DIBASIC AMMONIUM CITRATE | ||
7 | 1 | 2 | AMMONIUM DIHYDROGEN MONOPHOSPHATE | ||
8 | 1 | 2 | PEG 3350 |