3NDO

Crystal structure of deoxyribose phosphate aldolase from mycobacterium smegmatis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-05-29
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9795
Spacegroup name	P 1 21 1
Unit cell lengths	46.980, 73.200, 64.380
Unit cell angles	90.00, 91.00, 90.00

Refinement procedure

Resolution	33.470 - 1.250
R-factor	0.124
Rwork	0.123
R-free	0.14400
Structure solution method	MR, MR
Starting model (for MR)	1j2w
RMSD bond length	0.018
RMSD bond angle	1.773
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.470	1.280
High resolution limit [Å]	1.250	1.250
Rmerge	0.073	0.520
Number of reflections	119986
<I/σ(I)>	14.19	5
Completeness [%]	99.8	100
Redundancy	4.3	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	290	JCSG SCREEN CONDITION H10: 100MM BIS-TRIS PH 5.5, 25% PEG 3350, 200 MM AMMONIUM ACETATE; PROTEIN AT 4.6 MG/ML, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 290K