3OCW

Structure of Recombinant Haemophilus influenzae e(P4) Acid Phosphatase mutant D66N complexed with 3'-AMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 4.2.2
Synchrotron site	ALS
Beamline	4.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-01-21
Detector	NOIR-1
Wavelength(s)	1.00
Spacegroup name	P 65 2 2
Unit cell lengths	97.878, 97.878, 105.821
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	44.884 - 1.850
R-factor	0.1651
Rwork	0.164
R-free	0.18930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3et4
RMSD bond length	0.006
RMSD bond angle	1.005
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.6.2_432)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.920
High resolution limit [Å]	1.850	3.990	1.850
Rmerge	0.114	0.050	0.439
Number of reflections	26166
<I/σ(I)>	7
Completeness [%]	99.9	100	99.4
Redundancy	20.5	20.1	14.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	23-28% (w/v) PEG 3350, 0.05-0.2 M ammonium citrate dibasic, 0.05-0.15 mM MgCl2 , pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K