7D2F

Lp major histidine acid phosphatase mutant D281A/5'-AMP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	77.15
Detector technology	CCD
Collection date	2015-09-09
Detector	MARRESEARCH
Wavelength(s)	0.978
Spacegroup name	P 21 21 21
Unit cell lengths	55.610, 118.410, 118.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	83.870 - 2.600
R-factor	0.2218
Rwork	0.220
R-free	0.25600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3it0
RMSD bond length	0.007
RMSD bond angle	1.508
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	83.870	2.720
High resolution limit [Å]	2.600	2.600
Number of reflections	23466	2448
<I/σ(I)>	9.7
Completeness [%]	94.2
Redundancy	6.9
CC(1/2)	0.989	0.752

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289.15	15-25% w/v Polyethylene glycol 3350, 0.2M Sodium formate, 0.025% (w/v) low gelling temperature agarose