Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE A1 |
Synchrotron site | CHESS |
Beamline | A1 |
Temperature [K] | 100 |
Collection date | 2005-08-15 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 194.138, 101.751, 80.651 |
Unit cell angles | 90.00, 105.74, 90.00 |
Refinement procedure
Resolution | 46.730 - 2.600 |
Rwork | 0.252 |
R-free | 0.29710 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1s5g |
RMSD bond length | 0.008 |
RMSD bond angle | 1.538 |
Data scaling software | HKL-2000 |
Phasing software | AMoRE |
Refinement software | CNS (1.1) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 46.730 |
High resolution limit [Å] | 2.600 |
Rmerge | 0.097 |
Number of reflections | 42948 |
<I/σ(I)> | 11.2 |
Completeness [%] | 94.7 |
Redundancy | 3.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.6 | 277 | 8% PEG 5K MME, 150MM NACL, 100MM HEPES (PH 7.6), 5% ETHYLENE GLYCOL, 5MM MGAC2, 2MM CAAC2, 2MM NAN3, 2MM BETA-MERCAPTOETHANOL, 50MM NA MALONATE, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 277K |