7ZGF

Crystal Structure of Amycolatopsis jejuensis Multiple Inositol Polyphosphate Phosphatase, apo-protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-08-05
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.91587
Spacegroup name	P 1 21 1
Unit cell lengths	68.848, 87.137, 70.358
Unit cell angles	90.00, 97.40, 90.00

Refinement procedure

Resolution	69.770 - 2.050
R-factor	0.2101
Rwork	0.207
R-free	0.26190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6rxd
RMSD bond length	0.007
RMSD bond angle	0.858
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	69.771	5.560	2.090
High resolution limit [Å]	2.050	4.420	2.050
Rmerge	0.182	0.070	0.733
Rpim	0.133	0.052	0.528
Number of reflections	51333	2603	2541
<I/σ(I)>	4.3	9.6	1.4
Completeness [%]	99.1	99.54	98.45
Redundancy	2.8	2.7	2.86
CC(1/2)		0.986	0.586

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	289	0.1 M NaCitrate, 20% PEG 3000