8EVK

Crystal structure of Helicobacter pylori dihydroneopterin aldolase (DHNA)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2013-03-15
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.000
Spacegroup name	I 4
Unit cell lengths	68.081, 68.081, 57.404
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.900 - 1.490
R-factor	0.199
Rwork	0.197
R-free	0.23040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2o90
RMSD bond length	0.008
RMSD bond angle	0.991
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	1.540
High resolution limit [Å]	1.490	3.210	1.490
Rmerge	0.132
Rmeas	0.136
Rpim	0.036	0.028	0.652
Number of reflections	21197	2192	1769
<I/σ(I)>	13.7	20.04	1.19
Completeness [%]	98.2	99.4	82.6
Redundancy	14.1	14.8	9.4
CC(1/2)	0.999	0.993	0.547

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	(NH4)2SO4, NaCl, etc.