2WZI
BtGH84 D243N in complex with 5F-oxazoline
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-01-30 |
Detector | ADSC CCD |
Spacegroup name | P 1 |
Unit cell lengths | 51.380, 93.820, 98.880 |
Unit cell angles | 104.14, 94.06, 103.08 |
Refinement procedure
Resolution | 34.330 - 1.900 |
R-factor | 0.18608 |
Rwork | 0.184 |
R-free | 0.22349 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2cho |
RMSD bond length | 0.014 |
RMSD bond angle | 1.364 |
Phasing software | PHASER |
Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 34.330 | 2.000 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.100 | 0.450 |
Number of reflections | 132087 | |
<I/σ(I)> | 7.3 | 2.1 |
Completeness [%] | 96.2 | 94.9 |
Redundancy | 2.2 | 2.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 0.6M NH4AC, 10% GLYCEROL, 14% PEG3350, 0.1M MES PH6 |