3OCZ

Structure of Recombinant Haemophilus influenzae e(P4) Acid Phosphatase Complexed with the inhibitor adenosine 5-O-thiomonophosphate

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	2010-02-26
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9792
Spacegroup name	P 65 2 2
Unit cell lengths	98.179, 98.179, 107.020
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.286 - 1.350
R-factor	0.1391
Rwork	0.138
R-free	0.15850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3et4
RMSD bond length	0.006
RMSD bond angle	1.081
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	1.400
High resolution limit [Å]	1.350	2.910	1.350
Rmerge	0.072	0.030	0.607
Number of reflections	67160
<I/σ(I)>	7.8
Completeness [%]	100.0	99.7	99.9
Redundancy	8.2	8	7.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	18-23 % (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