3SF0

Structure of Recombinant Haemophilus Influenzae e(P4) Acid Phosphatase mutant D64N complexed with 5'AMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	CCD
Collection date	2008-10-16
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97947
Spacegroup name	P 65 2 2
Unit cell lengths	97.897, 97.897, 107.009
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.115 - 1.350
R-factor	0.1427
Rwork	0.142
R-free	0.15900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ocu
RMSD bond length	0.006
RMSD bond angle	1.130
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHENIX
Refinement software	PHENIX (1.6.2_432)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.400
High resolution limit [Å]	1.350	2.910	1.350
Rmerge	0.063	0.037	0.537
Number of reflections	66328
<I/σ(I)>	8.9
Completeness [%]	99.8	98.5	99.8
Redundancy	9.3	9.3	9.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.2	293	0.05-0.2M ammonium citrate, 0.05-0.15mM MgCl2, 18-23% (w/v) PEG 3350., pH 7.2, VAPOR DIFFUSION, SITTING DROP, temperature 293K