7W5M

Crystal structure of AtNASP in complex of H3 alpha3 helix peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-06
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.03314
Spacegroup name	P 21 21 21
Unit cell lengths	51.278, 62.803, 92.796
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.401 - 2.150
R-factor	0.1863
Rwork	0.184
R-free	0.22730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7v1m
Data reduction software	HKL-3000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.19.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	40.000	40.000	2.230
High resolution limit [Å]	2.150	4.630	2.150
Rmerge	0.097	0.040	0.665
Rmeas	0.108	0.045	0.746
Rpim	0.046	0.019	0.330
Total number of observations	88647
Number of reflections	16876	1819	1611
<I/σ(I)>	3.2
Completeness [%]	99.5	99	97.4
Redundancy	5.3	5	4.7
CC(1/2)		0.999	0.688

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	20% PEG 300, 0.2M Ammonium sulfate, 0.1M Phosphate citrate, pH 4.2, 10% Glycerol