2Y4R
CRYSTAL STRUCTURE OF 4-AMINO-4-DEOXYCHORISMATE LYASE FROM PSEUDOMONAS AERUGINOSA
Replaces: 2Y1UReplaces: 2XPFExperimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-02-13 |
Detector | ADSC QUANTUM 315r |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 40.813, 66.817, 202.688 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 101.340 - 1.750 |
R-factor | 0.16937 |
Rwork | 0.167 |
R-free | 0.21543 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1et0 |
RMSD bond length | 0.024 |
RMSD bond angle | 2.139 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 5.530 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.080 | 0.450 |
Number of reflections | 56255 | |
<I/σ(I)> | 10.7 | 2.5 |
Completeness [%] | 98.9 | 98.5 |
Redundancy | 3.7 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | VAPOUR DIFFUSION, HANGING DROP, 293K, 1 TO 1 MIXTURE OF RESERVOIR TO PROTEIN SOLUTION. RESERVOIR CONTAINED 1.8 M AMMONIUM SULFATE, 10 % W/V PEG400, 0.1 M MES PH 6.5. PROTEIN SOLUTION CONTAINED PABC PROTEIN AT 33 MG/ML, 500 MM NACL, 100 MM HEPES PH 7.5, 0.1 MM PYRIDOXAL PHOSPHATE AND 10 MM PARA-AMINOBENZOIC ACID. |