4XBK

2-deoxyribose-5-phosphate aldolase from Lactobacillus brevis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2014-04-10
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 41 21 2
Unit cell lengths	96.882, 96.882, 119.593
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.898 - 1.951
R-factor	0.1629
Rwork	0.162
R-free	0.17840
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.061
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	HKL-2000
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.020
High resolution limit [Å]	1.950	4.200	1.950
Rmerge	0.103	0.055	0.684
Rmeas	0.105	0.056	0.697
Rpim	0.020	0.011	0.133
Total number of observations	1158340
Number of reflections	42101
<I/σ(I)>	15.1
Completeness [%]	99.9	99.6	100
Redundancy	27.5	26.3	27.2
CC(1/2)		0.999	0.955

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	291.15	ammonium acetate, sodium acetate