4MPQ
Crystal structure of1-pyrroline-4-hydroxy-2-carboxylate deaminase from Brucella melitensis ATCC 23457
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-09-08 |
Detector | RIGAKU SATURN 944+ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 63 2 2 |
Unit cell lengths | 95.060, 95.060, 125.330 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 44.480 - 1.750 |
R-factor | 0.1599 |
Rwork | 0.159 |
R-free | 0.18460 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2hmc |
RMSD bond length | 0.012 |
RMSD bond angle | 1.472 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER (2.5.2) |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.800 |
High resolution limit [Å] | 1.750 | 7.830 | 1.750 |
Rmerge | 0.057 | 0.023 | 0.485 |
Number of reflections | 34293 | 470 | 2453 |
<I/σ(I)> | 22.33 | 74.48 | 3.13 |
Completeness [%] | 99.7 | 96.7 | 98.3 |
Redundancy | 6.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 290 | EmeraldBio MCSG1 screen, a11: 10% PEG 4000, 200mM MgCl2, 100mM MES/NaOH pH 6.5; cryo 20% EG; BrmeB.01563.a.B1.PS01874 at 19.3mg/ml, VAPOR DIFFUSION, SITTING DROP, temperature 290K |