2UYD
Crystal structure of the SmHasA mutant H83A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2002-03-08 |
Detector | ADSC CCD |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 110.670, 110.670, 52.355 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 40.000 - 2.700 |
R-factor | 0.238 |
Rwork | 0.236 |
R-free | 0.27400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1b2v |
RMSD bond length | 0.014 |
RMSD bond angle | 1.533 |
Data reduction software | DENZO |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | REFMAC (5.1.24) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.690 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.060 | 0.440 |
Number of reflections | 18702 | |
<I/σ(I)> | 10.5 | 2.3 |
Completeness [%] | 99.2 | 99.9 |
Redundancy | 4.2 | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | 293 | DROPS WERE PREPARED BY MIXING 2MICROL OF THE PROTEIN SOLUTION WITH 1 MICROL OF THE RESERVOIR SOLUTION THAT CONTAINED 100 MM SODIUM CACODYLATE AT PH 6.5, 200 MM ZN(OAC)2 AND 10 % (V/V) 2-PROPANOL. THE BROWNISH CRYSTALS GREW OVER A PERIOD OF 2 MONTHS AT 20 DEGREES C. |